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Pyrazoler

Organiske heterocykliske forbindelser, der består af en 5-leddet ring af tre carbonatomer og to tilstødende nitrogenatomer med formlen: C₃H₃N₂H.

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1

1:3-dimethyl-1H-pyrazol-5-carbothioamid, 97 %, Thermo Scientific™

CAS: 844891-03-8 Molekylær formel: C6H9N3S Molekylvægt (g/mol): 155.219 InChI nøgle: RVWYPAZKPYVUDC-UHFFFAOYSA-N Synonym: 1,3-dimethyl-1h-pyrazole-5-carbothioamide,1h-pyrazole-5-carbothioamide,1,3-dimethyl,amino 1,3-dimethylpyrazol-5-yl methane-1-thione PubChem CID: 2795270 IUPAC navn: 2,5-dimethylpyrazol-3-carbothioamid SMIL: CC1=NN(C(=C1)C(=S)N)C

PubChem CID 2795270
Molekylvægt (g/mol) 155.219
CAS 844891-03-8
Synonym 1,3-dimethyl-1h-pyrazole-5-carbothioamide,1h-pyrazole-5-carbothioamide,1,3-dimethyl,amino 1,3-dimethylpyrazol-5-yl methane-1-thione
SMIL CC1=NN(C(=C1)C(=S)N)C
IUPAC navn 2,5-dimethylpyrazol-3-carbothioamid
InChI nøgle RVWYPAZKPYVUDC-UHFFFAOYSA-N
Molekylær formel C6H9N3S
2

2-methyl-2H-indazol-3-carbaldehyd, 97 %, Thermo Scientific™

CAS: 34252-54-5 Molekylær formel: C9H8N2O Molekylvægt (g/mol): 160.18 MDL nummer: MFCD00839530 InChI nøgle: SMWLSZQHLMZHHV-UHFFFAOYSA-N Synonym: 2-methyl-2h-indazole-3-carbaldehyde,2-methyl-3-formylindazole,2h-indazole-3-carboxaldehyde,2-methyl PubChem CID: 818117 IUPAC navn: 2-methylindazol-3-carbaldehyd SMIL: CN1N=C2C=CC=CC2=C1C=O

MDL nummer MFCD00839530
PubChem CID 818117
Molekylvægt (g/mol) 160.18
CAS 34252-54-5
Synonym 2-methyl-2h-indazole-3-carbaldehyde,2-methyl-3-formylindazole,2h-indazole-3-carboxaldehyde,2-methyl
SMIL CN1N=C2C=CC=CC2=C1C=O
IUPAC navn 2-methylindazol-3-carbaldehyd
InChI nøgle SMWLSZQHLMZHHV-UHFFFAOYSA-N
Molekylær formel C9H8N2O
4

Indazole, 96%

CAS: 271-44-3 Molekylær formel: C7H6N2 Molekylvægt (g/mol): 118.14 InChI nøgle: BAXOFTOLAUCFNW-UHFFFAOYSA-N Synonym: indazole,1h-benzopyrazole,2-azaindole,isoindazole,2h-indazole,1,2-diazaindene,1,2-benzodiazole,1h-indazol,benzopyrazole,1,2-benzopyrazole PubChem CID: 9221 ChEBI: CHEBI:36669 IUPAC navn: 1H-indazol SMIL: C1=CC=C2C(=C1)C=NN2

PubChem CID 9221
Molekylvægt (g/mol) 118.14
CAS 271-44-3
ChEBI CHEBI:36669
Synonym indazole,1h-benzopyrazole,2-azaindole,isoindazole,2h-indazole,1,2-diazaindene,1,2-benzodiazole,1h-indazol,benzopyrazole,1,2-benzopyrazole
SMIL C1=CC=C2C(=C1)C=NN2
IUPAC navn 1H-indazol
InChI nøgle BAXOFTOLAUCFNW-UHFFFAOYSA-N
Molekylær formel C7H6N2
5

Tetrakis(1-pyrazolyl)borate, potassium salt, 95%

CAS: 14782-58-2 Molekylær formel: C12H12BKN8 Molekylvægt (g/mol): 318.2 MDL nummer: MFCD00800557 InChI nøgle: RKBGLZQVHBLUBM-UHFFFAOYSA-N Synonym: tetrakis 1-pyrazolyl borate,potassium tetrakis pyrazol-1-yloxy boranuide PubChem CID: 92043288 IUPAC navn: kalium;tetra(pyrazol-1-yloxy)boranuid SMIL: [B-](ON1C=CC=N1)(ON2C=CC=N2)(ON3C=CC=N3)ON4C=CC=N4.[K+]

MDL nummer MFCD00800557
PubChem CID 92043288
Molekylvægt (g/mol) 318.2
CAS 14782-58-2
Synonym tetrakis 1-pyrazolyl borate,potassium tetrakis pyrazol-1-yloxy boranuide
SMIL [B-](ON1C=CC=N1)(ON2C=CC=N2)(ON3C=CC=N3)ON4C=CC=N4.[K+]
IUPAC navn kalium;tetra(pyrazol-1-yloxy)boranuid
InChI nøgle RKBGLZQVHBLUBM-UHFFFAOYSA-N
Molekylær formel C12H12BKN8
6

1-Methyl-3-(trifluormethyl)-1H-pyrazol-4-sulfonylchlorid, 97+%, Thermo Scientific™

CAS: 519056-67-8 Molekylær formel: C5H4ClF3N2O2S Molekylvægt (g/mol): 248.604 InChI nøgle: HJFWSNIHZZKYIK-UHFFFAOYSA-N Synonym: 1-methyl-3-trifluoromethyl-1h-pyrazole-4-sulfonyl chloride,1-methyl-3-trifluoromethyl pyrazole-4-sulfonyl chloride,1h-pyrazole-4-sulfonylchloride,1-methyl-3-trifluoromethyl,chloro 1-methyl-3-trifluoromethyl pyrazol-4-yl sulfone,1-methyl-3-trifluoromethyl-1h-pyrazole-4-sulfonylchloride,1h-pyrazole-4-sulfonyl chloride, 1-methyl-3-trifluoromethyl PubChem CID: 2794561 IUPAC navn: 1-methyl-3-(trifluormethyl)pyrazol-4-sulfonylchlorid SMIL: CN1C=C(C(=N1)C(F)(F)F)S(=O)(=O)Cl

PubChem CID 2794561
Molekylvægt (g/mol) 248.604
CAS 519056-67-8
Synonym 1-methyl-3-trifluoromethyl-1h-pyrazole-4-sulfonyl chloride,1-methyl-3-trifluoromethyl pyrazole-4-sulfonyl chloride,1h-pyrazole-4-sulfonylchloride,1-methyl-3-trifluoromethyl,chloro 1-methyl-3-trifluoromethyl pyrazol-4-yl sulfone,1-methyl-3-trifluoromethyl-1h-pyrazole-4-sulfonylchloride,1h-pyrazole-4-sulfonyl chloride, 1-methyl-3-trifluoromethyl
SMIL CN1C=C(C(=N1)C(F)(F)F)S(=O)(=O)Cl
IUPAC navn 1-methyl-3-(trifluormethyl)pyrazol-4-sulfonylchlorid
InChI nøgle HJFWSNIHZZKYIK-UHFFFAOYSA-N
Molekylær formel C5H4ClF3N2O2S
7

[3-(2-furyl)-1-methyl-1H-pyrazol-5-yl]methanol 97+%, Thermo Scientific™

CAS: 886851-33-8 Molekylær formel: C9H10N2O2 Molekylvægt (g/mol): 178.191 InChI nøgle: BYXYWFXMSJTOKB-UHFFFAOYSA-N Synonym: 3-2-furyl-1-methyl-1h-pyrazol-5-yl methanol,5-furan-2-yl-2-methylpyrazol-3-yl methanol,3-2-furyl-1-methylpyrazol-5-yl methan-1-ol,3-furan-2-yl-1-methyl-1h-pyrazol-5-yl methanol PubChem CID: 18525804 IUPAC navn: [5-(furan-2-yl)-2-methylpyrazol-3-yl]methanol SMIL: CN1C(=CC(=N1)C2=CC=CO2)CO

PubChem CID 18525804
Molekylvægt (g/mol) 178.191
CAS 886851-33-8
Synonym 3-2-furyl-1-methyl-1h-pyrazol-5-yl methanol,5-furan-2-yl-2-methylpyrazol-3-yl methanol,3-2-furyl-1-methylpyrazol-5-yl methan-1-ol,3-furan-2-yl-1-methyl-1h-pyrazol-5-yl methanol
SMIL CN1C(=CC(=N1)C2=CC=CO2)CO
IUPAC navn [5-(furan-2-yl)-2-methylpyrazol-3-yl]methanol
InChI nøgle BYXYWFXMSJTOKB-UHFFFAOYSA-N
Molekylær formel C9H10N2O2
8

1-methyl-lh-indazol-3-carbonylchlorid, 97 %, Thermo Scientific™

CAS: 106649-02-9 Molekylær formel: C9H7ClN2O Molekylvægt (g/mol): 194.62 MDL nummer: MFCD02093096 InChI nøgle: NPNWVMBPSINFBV-UHFFFAOYSA-N Synonym: 1-methyl-1h-indazole-3-carbonyl chloride,1h-indazole-3-carbonylchloride, 1-methyl,1-methyl-1h-indazol-3-carbonyl chloride,1h-indazole-3-carbonyl chloride, 1-methyl,acmc-20mac8,1-methyl-3-indazolylcarbonyl chloride,1-methyl-indazole-3-carbonyl chloride,1-methyl-1h-indazole-3-carboxychloride,1-methyl-1h-indazole-3-carboxylic acid chloride PubChem CID: 7022055 IUPAC navn: 1-methylindazol-3-carbonylchlorid SMIL: CN1N=C(C(Cl)=O)C2=CC=CC=C12

MDL nummer MFCD02093096
PubChem CID 7022055
Molekylvægt (g/mol) 194.62
CAS 106649-02-9
Synonym 1-methyl-1h-indazole-3-carbonyl chloride,1h-indazole-3-carbonylchloride, 1-methyl,1-methyl-1h-indazol-3-carbonyl chloride,1h-indazole-3-carbonyl chloride, 1-methyl,acmc-20mac8,1-methyl-3-indazolylcarbonyl chloride,1-methyl-indazole-3-carbonyl chloride,1-methyl-1h-indazole-3-carboxychloride,1-methyl-1h-indazole-3-carboxylic acid chloride
SMIL CN1N=C(C(Cl)=O)C2=CC=CC=C12
IUPAC navn 1-methylindazol-3-carbonylchlorid
InChI nøgle NPNWVMBPSINFBV-UHFFFAOYSA-N
Molekylær formel C9H7ClN2O
9

[5-(2-furyl)-1H-pyrazol-3-yl]methanol, 97 %, Thermo Scientific™

CAS: 84978-67-6 Molekylær formel: C8H8N2O2 Molekylvægt (g/mol): 164.164 InChI nøgle: NBADTAIDQSLLHA-UHFFFAOYSA-N Synonym: 5-2-furyl-1h-pyrazol-3-yl methanol,5-furan-2-yl-1h-pyrazol-3-yl methanol,3-furan-2-yl-1h-pyrazol-5-yl methanol,5-2-furyl pyrazol-3-yl methan-1-ol,1h-pyrazole-3-methanol,5-2-furanyl,5-2-furyl-1h-pyrazol-4-yl methanol,5-fur-2-yl-1h-pyrazol-3-yl methanol,5-furan-2-yl-2h-pyrazol-3-yl methanol PubChem CID: 7060534 IUPAC navn: [3-(furan-2-yl)-lH-pyrazol-5-yl]methanol SMIL: C1=COC(=C1)C2=NNC(=C2)CO

PubChem CID 7060534
Molekylvægt (g/mol) 164.164
CAS 84978-67-6
Synonym 5-2-furyl-1h-pyrazol-3-yl methanol,5-furan-2-yl-1h-pyrazol-3-yl methanol,3-furan-2-yl-1h-pyrazol-5-yl methanol,5-2-furyl pyrazol-3-yl methan-1-ol,1h-pyrazole-3-methanol,5-2-furanyl,5-2-furyl-1h-pyrazol-4-yl methanol,5-fur-2-yl-1h-pyrazol-3-yl methanol,5-furan-2-yl-2h-pyrazol-3-yl methanol
SMIL C1=COC(=C1)C2=NNC(=C2)CO
IUPAC navn [3-(furan-2-yl)-lH-pyrazol-5-yl]methanol
InChI nøgle NBADTAIDQSLLHA-UHFFFAOYSA-N
Molekylær formel C8H8N2O2
10

1-Methyl-3-(trifluormethyl)-1H-pyrazol-4-carbonylchlorid, 97+%, Thermo Scientific™

CAS: 126674-98-4 Molekylær formel: C6H4ClF3N2O Molekylvægt (g/mol): 212.556 InChI nøgle: KFKVECZQALNWSR-UHFFFAOYSA-N Synonym: 1-methyl-3-trifluoromethyl-1h-pyrazole-4-carbonyl chloride,1-methyl-3-trifluoromethyl pyrazole-4-carbonyl chloride,1h-pyrazole-4-carbonylchloride, 1-methyl-3-trifluoromethyl,acmc-20ms45,3-trifluoromethyl-1-methyl-1h-pyrazole-4-carbonyl chloride,1-methyl-3-trifluoromethylpyrazole-4-carboxylic acid chloride,1-methyl-4-trifluoromethyl-1h-pyrazole-3-carbonyl chloride,1-methyl-3-trifluoromethyl-1h-pyrazole-4-carboxylic acid chloride,1h-pyrazole-4-carbonyl chloride, 1-methyl-3-trifluoromethyl PubChem CID: 2794581 IUPAC navn: 1-methyl-3-(trifluormethyl)pyrazol-4-carbonylchlorid SMIL: CN1C=C(C(=N1)C(F)(F)F)C(=O)Cl

PubChem CID 2794581
Molekylvægt (g/mol) 212.556
CAS 126674-98-4
Synonym 1-methyl-3-trifluoromethyl-1h-pyrazole-4-carbonyl chloride,1-methyl-3-trifluoromethyl pyrazole-4-carbonyl chloride,1h-pyrazole-4-carbonylchloride, 1-methyl-3-trifluoromethyl,acmc-20ms45,3-trifluoromethyl-1-methyl-1h-pyrazole-4-carbonyl chloride,1-methyl-3-trifluoromethylpyrazole-4-carboxylic acid chloride,1-methyl-4-trifluoromethyl-1h-pyrazole-3-carbonyl chloride,1-methyl-3-trifluoromethyl-1h-pyrazole-4-carboxylic acid chloride,1h-pyrazole-4-carbonyl chloride, 1-methyl-3-trifluoromethyl
SMIL CN1C=C(C(=N1)C(F)(F)F)C(=O)Cl
IUPAC navn 1-methyl-3-(trifluormethyl)pyrazol-4-carbonylchlorid
InChI nøgle KFKVECZQALNWSR-UHFFFAOYSA-N
Molekylær formel C6H4ClF3N2O
11

5-(chlormethyl)-1,3-dimethyl-1H-pyrazol, 97 %, Thermo Scientific Chemicals

CAS: 852227-86-2 Molekylær formel: C6H9ClN2 Molekylvægt (g/mol): 144.60 MDL nummer: MFCD07368502 InChI nøgle: SGEZKPNUNBVVLB-UHFFFAOYSA-N PubChem CID: 4961270 IUPAC navn: 5-(chlormethyl)-1,3-dimethylpyrazol SMIL: CN1N=C(C)C=C1CCl

MDL nummer MFCD07368502
PubChem CID 4961270
Molekylvægt (g/mol) 144.60
CAS 852227-86-2
SMIL CN1N=C(C)C=C1CCl
IUPAC navn 5-(chlormethyl)-1,3-dimethylpyrazol
InChI nøgle SGEZKPNUNBVVLB-UHFFFAOYSA-N
Molekylær formel C6H9ClN2
12

1H-Indazole-4-carboxaldehyde, 97%

CAS: 669050-70-8 Molekylær formel: C8H6N2O Molekylvægt (g/mol): 146.15 MDL nummer: MFCD06738279 InChI nøgle: FPJXNCKSPFGQGC-UHFFFAOYSA-N Synonym: 4-formylindazole,1h-indazole-4-carboxaldehyde,4-formyl-1h-indazole,1h-indazol-4-carboxaldehyde,pubchem22512,acmc-209nwx,1h-indazole-4-carboxaldehyde 9ci PubChem CID: 45083569 IUPAC navn: 1H-indazol-4-carbaldehyd SMIL: C1=CC(=C2C=NNC2=C1)C=O

MDL nummer MFCD06738279
PubChem CID 45083569
Molekylvægt (g/mol) 146.15
CAS 669050-70-8
Synonym 4-formylindazole,1h-indazole-4-carboxaldehyde,4-formyl-1h-indazole,1h-indazol-4-carboxaldehyde,pubchem22512,acmc-209nwx,1h-indazole-4-carboxaldehyde 9ci
SMIL C1=CC(=C2C=NNC2=C1)C=O
IUPAC navn 1H-indazol-4-carbaldehyd
InChI nøgle FPJXNCKSPFGQGC-UHFFFAOYSA-N
Molekylær formel C8H6N2O
13

5-(chlormethyl)-1,3-dimethyl-lh-pyrazol, 97 %, Thermo Scientific™

CAS: 852227-86-2 Molekylær formel: C6H9ClN2 Molekylvægt (g/mol): 144.60 MDL nummer: MFCD07368502 InChI nøgle: SGEZKPNUNBVVLB-UHFFFAOYSA-N PubChem CID: 4961270 SMIL: CN1N=C(C)C=C1CCl

MDL nummer MFCD07368502
PubChem CID 4961270
Molekylvægt (g/mol) 144.60
CAS 852227-86-2
SMIL CN1N=C(C)C=C1CCl
InChI nøgle SGEZKPNUNBVVLB-UHFFFAOYSA-N
Molekylær formel C6H9ClN2
14

1-Methyl-1H-pyrazol-4-boronsyrehydrochlorid, 95 %, Thermo Scientific™

CAS: 1026796-02-0 Molekylær formel: C4H8BClN2O2 Molekylvægt (g/mol): 162.38 MDL nummer: MFCD09972098 InChI nøgle: YFPLZINTZVVVJM-UHFFFAOYSA-N Synonym: 1-methylpyrazole-4-boronic acid, hcl,1-methyl-1h-pyrazol-4-yl boronic acid hydrochloride,1-methyl-1h-pyrazole-4-boronic acid hydrochloride,1-methylpyrazole-4-boronic acid hcl,1-methyl-1h-pyrazol-4-ylboronic acid hydrochloride,1-methylpyrazol-4-ylboronic acid hydrochloride,1-methylpyrazole-4-boronic acid,hcl,1-methyl-1h-pyrazole-4-boronic acid xhcl,1-methylpyrazole-4-boronic acid hydrochloride,1-methyl-1h-pyrazole-4-boronic acid hcl PubChem CID: 45158882 IUPAC navn: (1-methylpyrazol-4-yl)boronsyre;hydrochlorid SMIL: Cl.CN1C=C(C=N1)B(O)O

MDL nummer MFCD09972098
PubChem CID 45158882
Molekylvægt (g/mol) 162.38
CAS 1026796-02-0
Synonym 1-methylpyrazole-4-boronic acid, hcl,1-methyl-1h-pyrazol-4-yl boronic acid hydrochloride,1-methyl-1h-pyrazole-4-boronic acid hydrochloride,1-methylpyrazole-4-boronic acid hcl,1-methyl-1h-pyrazol-4-ylboronic acid hydrochloride,1-methylpyrazol-4-ylboronic acid hydrochloride,1-methylpyrazole-4-boronic acid,hcl,1-methyl-1h-pyrazole-4-boronic acid xhcl,1-methylpyrazole-4-boronic acid hydrochloride,1-methyl-1h-pyrazole-4-boronic acid hcl
SMIL Cl.CN1C=C(C=N1)B(O)O
IUPAC navn (1-methylpyrazol-4-yl)boronsyre;hydrochlorid
InChI nøgle YFPLZINTZVVVJM-UHFFFAOYSA-N
Molekylær formel C4H8BClN2O2
15

3-amino-5-iod-1H-indazol, 95 %, Thermo Scientific™

CAS: 88805-76-9 Molekylær formel: C7H6IN3 Molekylvægt (g/mol): 259.05 MDL nummer: MFCD09261138 InChI nøgle: GBUVSJWTWOWRSL-UHFFFAOYSA-N Synonym: 3-amino-5-iodo-1h-indazole,1h-indazol-3-amine,5-iodo,1h-indazol-3-amine, 5-iodo,3-amino-5-iodoindazole,acmc-20f1u4,5-iodo-1h-indazole-3-ylamine PubChem CID: 20135868 IUPAC navn: 5-iod-lH-indazol-3-amin SMIL: NC1=NNC2=CC=C(I)C=C12

MDL nummer MFCD09261138
PubChem CID 20135868
Molekylvægt (g/mol) 259.05
CAS 88805-76-9
Synonym 3-amino-5-iodo-1h-indazole,1h-indazol-3-amine,5-iodo,1h-indazol-3-amine, 5-iodo,3-amino-5-iodoindazole,acmc-20f1u4,5-iodo-1h-indazole-3-ylamine
SMIL NC1=NNC2=CC=C(I)C=C12
IUPAC navn 5-iod-lH-indazol-3-amin
InChI nøgle GBUVSJWTWOWRSL-UHFFFAOYSA-N
Molekylær formel C7H6IN3