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Benzopyrazoles

Organic bicyclic compounds that consist of a benzene fused with a pyrazole; pyrazole rings contain two adjacent nitrogen atoms in a five-membered ring.
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1

1-Desmethyl 2-Methyl Granisetron (Granisetron Impurity A), TRC

CAS: 127472-42-8 Molekylær formel: C18 H24 N4 O Molekylvægt (g/mol): 312.41 Synonym: 2H-Indazole-3-carboxamide, 2-methyl-N-(9-methyl-9-azabicyclo[3.3.1]non-3-yl)-, endo- (9CI),9-Azabicyclo[3.3.1]nonane, 2H-indazole-3-carboxamide deriv.,2-Methyl-N-[(3-endo)-9-methyl-9-azabicyclo[3.3.1]non-3-yl]-2H-indazole-3-carboxamide,2-methyl-N-[(1R,3r,5S)-9-methyl-9-azabicyclo[3.3.1]non-3-yl]-2H-indazole-3-carboxamide IUPAC navn: 2-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide SMIL: CN1[C@@H]2CCC[C@H]1C[C@H](C2)NC(=O)c3c4ccccc4nn3C

Molekylvægt (g/mol) 312.41
CAS 127472-42-8
Synonym 2H-Indazole-3-carboxamide, 2-methyl-N-(9-methyl-9-azabicyclo[3.3.1]non-3-yl)-, endo- (9CI),9-Azabicyclo[3.3.1]nonane, 2H-indazole-3-carboxamide deriv.,2-Methyl-N-[(3-endo)-9-methyl-9-azabicyclo[3.3.1]non-3-yl]-2H-indazole-3-carboxamide,2-methyl-N-[(1R,3r,5S)-9-methyl-9-azabicyclo[3.3.1]non-3-yl]-2H-indazole-3-carboxamide
SMIL CN1[C@@H]2CCC[C@H]1C[C@H](C2)NC(=O)c3c4ccccc4nn3C
IUPAC navn 2-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide
Molekylær formel C18 H24 N4 O
2

N-(2-Chloro-4-pyrimidinyl)-2,3-dimethyl-2H-indazol-6-amine, TRC

CAS: 444731-74-2 Molekylær formel: C13 H12 Cl N5 Molekylvægt (g/mol): 273.7209 Synonym: Pazopanib related,GW 790323X IUPAC navn: N-(2-chloropyrimidin-4-yl)-2,3-dimethylindazol-6-amine SMIL: Cc1c2ccc(Nc3ccnc(Cl)n3)cc2nn1C

Molekylvægt (g/mol) 273.7209
CAS 444731-74-2
Synonym Pazopanib related,GW 790323X
SMIL Cc1c2ccc(Nc3ccnc(Cl)n3)cc2nn1C
IUPAC navn N-(2-chloropyrimidin-4-yl)-2,3-dimethylindazol-6-amine
Molekylær formel C13 H12 Cl N5
3

a-Methyl-1H-Indazole-4-methanamine, TRC

CAS: 1159511-31-5 Molekylær formel: C9H11N3 Molekylvægt (g/mol): 161.2 IUPAC navn: 1-(1H-indazol-4-yl)ethanamine SMIL: CC(N)c1cccc2[nH]ncc12

Molekylvægt (g/mol) 161.2
CAS 1159511-31-5
SMIL CC(N)c1cccc2[nH]ncc12
IUPAC navn 1-(1H-indazol-4-yl)ethanamine
Molekylær formel C9H11N3
4

Indisetron, TRC

CAS: 141549-75-9 Molekylær formel: C17H23N5O Molekylvægt (g/mol): 313.4 Synonym: N-[(7-endo)-3,9-Dimethyl-3,9-diazabicyclo[3.3.1]non-7-yl]-1H-indazole-3-carboxamide,endo-N-(3,9-Dimethyl-3,9-diazabicyclo[3.3.1]non-7-yl)-1H-indazole-3-carboxamide IUPAC navn: N-[(1S,5R)-3,9-dimethyl-3,9-diazabicyclo[3.3.1]nonan-7-yl]-1H-indazole-3-carboxamide SMIL: CN1C[C@H]2C[C@H](C[C@@H](C1)N2C)NC(=O)c3n[nH]c4ccccc34

Molekylvægt (g/mol) 313.4
CAS 141549-75-9
Synonym N-[(7-endo)-3,9-Dimethyl-3,9-diazabicyclo[3.3.1]non-7-yl]-1H-indazole-3-carboxamide,endo-N-(3,9-Dimethyl-3,9-diazabicyclo[3.3.1]non-7-yl)-1H-indazole-3-carboxamide
SMIL CN1C[C@H]2C[C@H](C[C@@H](C1)N2C)NC(=O)c3n[nH]c4ccccc34
IUPAC navn N-[(1S,5R)-3,9-dimethyl-3,9-diazabicyclo[3.3.1]nonan-7-yl]-1H-indazole-3-carboxamide
Molekylær formel C17H23N5O
5

3-Methyl-6-nitroindazole, TRC

CAS: 6494-19-5 Molekylær formel: C8H7N3O2 Molekylvægt (g/mol): 177.16 Synonym: 6-Nitro-3-methylindazole,3-Methyl-6-nitro-1H-indazole SMIL: Cc1n[nH]c2cc(ccc12)[N+](=O)[O-]

Molekylvægt (g/mol) 177.16
CAS 6494-19-5
Synonym 6-Nitro-3-methylindazole,3-Methyl-6-nitro-1H-indazole
SMIL Cc1n[nH]c2cc(ccc12)[N+](=O)[O-]
Molekylær formel C8H7N3O2
6

9’-Desmethyl Granisetron, TRC

CAS: 160177-67-3 Molekylær formel: C17 H22 N4 O Molekylvægt (g/mol): 298.38 Synonym: Granisetron Hydrochloride Imp. C (EP),N-[(1R,3r,5S)-9-Azabicyclo[3.3.1]non-3-yl]-1-methyl-1H-indazole-3-carboxamide,N-(3-endo)-9-Azabicyclo[3.3.1]non-3-yl-1-methyl-1H-indazole-3-carboxamide,endo-N-9-Azabicyclo[3.3.1]non-3-yl-1-methyl-1H-indazole-3-carboxamide IUPAC navn: N-[(1R,5S)-9-azabicyclo[3.3.1]nonan-3-yl]-1-methylindazole-3-carboxamide SMIL: Cn1nc(C(=O)N[C@H]2C[C@H]3CCC[C@@H](C2)N3)c4ccccc14

Molekylvægt (g/mol) 298.38
CAS 160177-67-3
Synonym Granisetron Hydrochloride Imp. C (EP),N-[(1R,3r,5S)-9-Azabicyclo[3.3.1]non-3-yl]-1-methyl-1H-indazole-3-carboxamide,N-(3-endo)-9-Azabicyclo[3.3.1]non-3-yl-1-methyl-1H-indazole-3-carboxamide,endo-N-9-Azabicyclo[3.3.1]non-3-yl-1-methyl-1H-indazole-3-carboxamide
SMIL Cn1nc(C(=O)N[C@H]2C[C@H]3CCC[C@@H](C2)N3)c4ccccc14
IUPAC navn N-[(1R,5S)-9-azabicyclo[3.3.1]nonan-3-yl]-1-methylindazole-3-carboxamide
Molekylær formel C17 H22 N4 O
7

Granisetron, TRC

CAS: 109889-09-0 Molekylær formel: C18 H24 N4 O Molekylvægt (g/mol): 312.41 Synonym: 1H-Indazole-3-carboxamide, 1-methyl-N-[(3-endo)-9-methyl-9-azabicyclo[3.3.1]non-3-yl]-,1H-Indazole-3-carboxamide, 1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]non-3-yl)-, endo-,1-Methyl-N-[(3-endo)-9-methyl-9-azabicyclo[3.3.1]non-3-yl]-1H-indazole-3-carboxamide,9-Azabicyclo[3.3.1]nonane, 1H-indazole-3-carboxamide deriv.,BRL 43694,BRL 43964,Granisetron,Kevatril,Sustol,endo-Granisetron IUPAC navn: 1-methyl-N-[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide SMIL: CN1[C@@H]2CCC[C@H]1C[C@H](C2)NC(=O)c3nn(C)c4ccccc34

Molekylvægt (g/mol) 312.41
CAS 109889-09-0
Synonym 1H-Indazole-3-carboxamide, 1-methyl-N-[(3-endo)-9-methyl-9-azabicyclo[3.3.1]non-3-yl]-,1H-Indazole-3-carboxamide, 1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]non-3-yl)-, endo-,1-Methyl-N-[(3-endo)-9-methyl-9-azabicyclo[3.3.1]non-3-yl]-1H-indazole-3-carboxamide,9-Azabicyclo[3.3.1]nonane, 1H-indazole-3-carboxamide deriv.,BRL 43694,BRL 43964,Granisetron,Kevatril,Sustol,endo-Granisetron
SMIL CN1[C@@H]2CCC[C@H]1C[C@H](C2)NC(=O)c3nn(C)c4ccccc34
IUPAC navn 1-methyl-N-[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide
Molekylær formel C18 H24 N4 O
8

7-Hydroxy Granisetron Hydrochloride, TRC

CAS: 133841-04-0 Molekylær formel: C18 H24 N4 O2 . Cl H Molekylvægt (g/mol): 364.87 Synonym: 1H-Indazole-3-carboxamide, 7-hydroxy-1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]non-3-yl)-, monohydrochloride, endo- (9CI),9-Azabicyclo[3.3.1]nonane, 1H-indazole-3-carboxamide deriv.,7-Hydroxy-1-methyl-N-[(3-endo)-9-methyl-9-azabicyclo[3.3.1]non-3-yl]-1H-indazole-3-carboxamide hydrochloride,7-Hydroxygranisetron hydrochloride,7-Hydroxy granisetron hydrochloride IUPAC navn: 7-hydroxy-1-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide;hydrochloride SMIL: Cl.CN1[C@@H]2CCC[C@H]1C[C@H](C2)NC(=O)c3nn(C)c4c(O)cccc34

Molekylvægt (g/mol) 364.87
CAS 133841-04-0
Synonym 1H-Indazole-3-carboxamide, 7-hydroxy-1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]non-3-yl)-, monohydrochloride, endo- (9CI),9-Azabicyclo[3.3.1]nonane, 1H-indazole-3-carboxamide deriv.,7-Hydroxy-1-methyl-N-[(3-endo)-9-methyl-9-azabicyclo[3.3.1]non-3-yl]-1H-indazole-3-carboxamide hydrochloride,7-Hydroxygranisetron hydrochloride,7-Hydroxy granisetron hydrochloride
SMIL Cl.CN1[C@@H]2CCC[C@H]1C[C@H](C2)NC(=O)c3nn(C)c4c(O)cccc34
IUPAC navn 7-hydroxy-1-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide;hydrochloride
Molekylær formel C18 H24 N4 O2 . Cl H
9

N,N-DidemethylN,N-diethyl Benzydamine, TRC

CAS: 47448-66-8 Molekylær formel: C21 H27 N3 O Molekylvægt (g/mol): 337.46 Synonym: 1-Benzyl-3-[3-(diethylamino)propoxy]-1H-indazole,N,N-Diethyl-3-[[1-(phenylmethyl)-1H-indazol-3-yl]oxy]-1-propanamine Hydrochloride; IUPAC navn: 3-(1-benzylindazol-3-yl)oxy-N,N-diethylpropan-1-amine SMIL: CCN(CC)CCCOc1nn(Cc2ccccc2)c3ccccc13

Molekylvægt (g/mol) 337.46
CAS 47448-66-8
Synonym 1-Benzyl-3-[3-(diethylamino)propoxy]-1H-indazole,N,N-Diethyl-3-[[1-(phenylmethyl)-1H-indazol-3-yl]oxy]-1-propanamine Hydrochloride;
SMIL CCN(CC)CCCOc1nn(Cc2ccccc2)c3ccccc13
IUPAC navn 3-(1-benzylindazol-3-yl)oxy-N,N-diethylpropan-1-amine
Molekylær formel C21 H27 N3 O
10

1-Desmethyl Granisetron (Granisetron Impurity B), TRC

CAS: 107007-95-4 Molekylær formel: C17 H22 N4 O Molekylvægt (g/mol): 298.38 Synonym: Granisetron Hydrochloride Imp. B (EP),N-[(1R,3r,5S)-9-Methyl-9-azabicyclo-[3.3.1]non-3-yl]-1H-indazole-3-carboxamide,N-[(3-endo)-9-methyl-9-azabicyclo[3.3.1]non-3-yl]-1H-Indazole-3-carboxamide,endo-N-(9-Methyl-9-azabicyclo[3.3.1]non-3-yl)-1H-Indazole-3-carboxamide,9-Azabicyclo[3.3.1]nonane, 1H-indazole-3-carboxamide deriv. IUPAC navn: N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-1H-indazole-3-carboxamide SMIL: CN1[C@@H]2CCC[C@H]1C[C@H](C2)NC(=O)c3n[nH]c4ccccc34

Molekylvægt (g/mol) 298.38
CAS 107007-95-4
Synonym Granisetron Hydrochloride Imp. B (EP),N-[(1R,3r,5S)-9-Methyl-9-azabicyclo-[3.3.1]non-3-yl]-1H-indazole-3-carboxamide,N-[(3-endo)-9-methyl-9-azabicyclo[3.3.1]non-3-yl]-1H-Indazole-3-carboxamide,endo-N-(9-Methyl-9-azabicyclo[3.3.1]non-3-yl)-1H-Indazole-3-carboxamide,9-Azabicyclo[3.3.1]nonane, 1H-indazole-3-carboxamide deriv.
SMIL CN1[C@@H]2CCC[C@H]1C[C@H](C2)NC(=O)c3n[nH]c4ccccc34
IUPAC navn N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-1H-indazole-3-carboxamide
Molekylær formel C17 H22 N4 O
11

3,6-Diiodo-1H-indazole, TRC

CAS: 319472-78-1 Molekylær formel: C7H4I2N2 Molekylvægt (g/mol): 369.93 Synonym: 1H-Indazole, 3,6-diiodo- (9CI, ACI),3,6-Diiodo-1H-indazole (ACI),3,6-Diiodo-2H-indazole SMIL: Ic1ccc2c(I)n[nH]c2c1

Molekylvægt (g/mol) 369.93
CAS 319472-78-1
Synonym 1H-Indazole, 3,6-diiodo- (9CI, ACI),3,6-Diiodo-1H-indazole (ACI),3,6-Diiodo-2H-indazole
SMIL Ic1ccc2c(I)n[nH]c2c1
Molekylær formel C7H4I2N2
12

2,3-Dimethyl-6-nitro-2H-indazole, TRC

CAS: 444731-73-1 Molekylær formel: C9 H9 N3 O2 Molekylvægt (g/mol): 191.19 Synonym: 2H-Indazole, 2,3-dimethyl-6-nitro-,2,3-Dimethyl-6-nitro-2H-indazole IUPAC navn: 2,3-dimethyl-6-nitroindazole SMIL: Cc1c2ccc(cc2nn1C)[N+](=O)[O-]

Molekylvægt (g/mol) 191.19
CAS 444731-73-1
Synonym 2H-Indazole, 2,3-dimethyl-6-nitro-,2,3-Dimethyl-6-nitro-2H-indazole
SMIL Cc1c2ccc(cc2nn1C)[N+](=O)[O-]
IUPAC navn 2,3-dimethyl-6-nitroindazole
Molekylær formel C9 H9 N3 O2
13

1,3,5-Pentanetriol, TRC

CAS: 4328-94-3 Molekylær formel: C5H12O3 Molekylvægt (g/mol): 120.15 IUPAC navn: pentane-1,3,5-triol SMIL: OCCC(O)CCO

Molekylvægt (g/mol) 120.15
CAS 4328-94-3
SMIL OCCC(O)CCO
IUPAC navn pentane-1,3,5-triol
Molekylær formel C5H12O3
14

Granisetron Hydrochloride, TRC

CAS: 107007-99-8 Molekylær formel: C18 H24 N4 O . Cl H Molekylvægt (g/mol): 348.87 Synonym: Granisetron Hydrochloride,1H-Indazole-3-carboxamide, 1-methyl-N-[(3-endo)-9-methyl-9-azabicyclo[3.3.1]non-3-yl]-, hydrochloride (1:1),1H-Indazole-3-carboxamide, 1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]non-3-yl)-, monohydrochloride, endo-,1H-Indazole-3-carboxamide, 1-methyl-N-[(3-endo)-9-methyl-9-azabicyclo[3.3.1]non-3-yl]-, monohydrochloride (9CI),9-Azabicyclo[3.3.1]nonane, 1H-indazole-3-carboxamide deriv.,BRL 43694A,Granisetron hydrochloride,Kytril IUPAC navn: 1-methyl-N-[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide;hydrochloride SMIL: Cl.CN1[C@@H]2CCC[C@H]1C[C@H](C2)NC(=O)c3nn(C)c4ccccc34

Molekylvægt (g/mol) 348.87
CAS 107007-99-8
Synonym Granisetron Hydrochloride,1H-Indazole-3-carboxamide, 1-methyl-N-[(3-endo)-9-methyl-9-azabicyclo[3.3.1]non-3-yl]-, hydrochloride (1:1),1H-Indazole-3-carboxamide, 1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]non-3-yl)-, monohydrochloride, endo-,1H-Indazole-3-carboxamide, 1-methyl-N-[(3-endo)-9-methyl-9-azabicyclo[3.3.1]non-3-yl]-, monohydrochloride (9CI),9-Azabicyclo[3.3.1]nonane, 1H-indazole-3-carboxamide deriv.,BRL 43694A,Granisetron hydrochloride,Kytril
SMIL Cl.CN1[C@@H]2CCC[C@H]1C[C@H](C2)NC(=O)c3nn(C)c4ccccc34
IUPAC navn 1-methyl-N-[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide;hydrochloride
Molekylær formel C18 H24 N4 O . Cl H