[3-(4-aminopyrazol-1-yl)phenyl]methanol;(2R)-N-[1-(2-chloro-5-fluoropyrimidin-4-yl)-3H-inden-4-yl]-3-methoxy-2-(4-methylpiperazin-1-yl)propanamide;(2R)-N-[1-[5-fluoro-2-[[1-[3-(hydroxymethyl)phenyl]pyrazol-4-yl]amino]pyrimidin-4-yl]-3H-inden-4-yl]-3-methoxy-2-(4-methylpiperazin-1-yl)propanamide;methyl 3-(4-aminopyrazol-1-yl)benzoate

C75H82ClF2N19O8 — CID 164952251

IUPAC[3-(4-aminopyrazol-1-yl)phenyl]methanol;(2R)-N-[1-(2-chloro-5-fluoropyrimidin-4-yl)-3H-inden-4-yl]-3-methoxy-2-(4-methylpiperazin-1-yl)propanamide;(2R)-N-[1-[5-fluoro-2-[[1-[3-(hydroxymethyl)phenyl]pyrazol-4-yl]amino]pyrimidin-4-yl]-3H-inden-4-yl]-3-methoxy-2-(4-methylpiperazin-1-yl)propanamide;methyl 3-(4-aminopyrazol-1-yl)benzoate
SMILESCOC(=O)c1cccc(-n2cc(N)cn2)c1.COC[C@H](C(=O)Nc1cccc2c1CC=C2c1nc(Cl)ncc1F)N1CCN(C)CC1.COC[C@H](C(=O)Nc1cccc2c1CC=C2c1nc(Nc2cnn(-c3cccc(CO)c3)c2)ncc1F)N1CCN(C)CC1.Nc1cnn(-c2cccc(CO)c2)c1
InChIInChI=1S/C32H35FN8O3.C22H25ClFN5O2.C11H11N3O2.C10H11N3O/c1-39-11-13-40(14-12-39)29(20-44-2)31(43)37-28-8-4-7-24-25(28)9-10-26(24)30-27(33)17-34-32(38-30)36-22-16-35-41(18-22)23-6-3-5-21(15-23)19-42;1-28-8-10-29(11-9-28)19(13-31-2)21(30)26-18-5-3-4-14-15(18)6-7-16(14)20-17(24)12-25-22(23)27-20;1-16-11(15)8-3-2-4-10(5-8)14-7-9(12)6-13-14;11-9-5-12-13(6-9)10-3-1-2-8(4-10)7-14/h3-8,10,15-18,29,42H,9,11-14,19-20H2,1-2H3,(H,37,43)(H,34,36,38);3-5,7,12,19H,6,8-11,13H2,1-2H3,(H,26,30);2-7H,12H2,1H3;1-6,14H,7,11H2/t29-;19-;;/m11../s1
InChIKeyARQWMCCBTLKKBZ-OBGMEXHLSA-N
MW1451.05 g/mol
LogP7.87
Rot. Bonds20

About [3-(4-aminopyrazol-1-yl)phenyl]methanol;(2R)-N-[1-(2-chloro-5-fluoropyrimidin-4-yl)-3H-inden-4-yl]-3-methoxy-2-(4-methylpiperazin-1-yl)propanamide;(2R)-N-[1-[5-fluoro-2-[[1-[3-(hydroxymethyl)phenyl]pyrazol-4-yl]amino]pyrimidin-4-yl]-3H-inden-4-yl]-3-methoxy-2-(4-methylpiperazin-1-yl)propanamide;methyl 3-(4-aminopyrazol-1-yl)benzoate

[3-(4-aminopyrazol-1-yl)phenyl]methanol;(2R)-N-[1-(2-chloro-5-fluoropyrimidin-4-yl)-3H-inden-4-yl]-3-methoxy-2-(4-methylpiperazin-1-yl)propanamide;(2R)-N-[1-[5-fluoro-2-[[1-[3-(hydroxymethyl)phenyl]pyrazol-4-yl]amino]pyrimidin-4-yl]-3H-inden-4-yl]-3-methoxy-2-(4-methylpiperazin-1-yl)propanamide;methyl 3-(4-aminopyrazol-1-yl)benzoate (PubChem CID 164952251) has the molecular formula C75H82ClF2N19O8 and a molecular weight of 1451.05 g/mol. Its IUPAC name is [3-(4-aminopyrazol-1-yl)phenyl]methanol;(2R)-N-[1-(2-chloro-5-fluoropyrimidin-4-yl)-3H-inden-4-yl]-3-methoxy-2-(4-methylpiperazin-1-yl)propanamide;(2R)-N-[1-[5-fluoro-2-[[1-[3-(hydroxymethyl)phenyl]pyrazol-4-yl]amino]pyrimidin-4-yl]-3H-inden-4-yl]-3-methoxy-2-(4-methylpiperazin-1-yl)propanamide;methyl 3-(4-aminopyrazol-1-yl)benzoate.

Molecular Properties

Compound Name[3-(4-aminopyrazol-1-yl)phenyl]methanol;(2R)-N-[1-(2-chloro-5-fluoropyrimidin-4-yl)-3H-inden-4-yl]-3-methoxy-2-(4-methylpiperazin-1-yl)propanamide;(2R)-N-[1-[5-fluoro-2-[[1-[3-(hydroxymethyl)phenyl]pyrazol-4-yl]amino]pyrimidin-4-yl]-3H-inden-4-yl]-3-methoxy-2-(4-methylpiperazin-1-yl)propanamide;methyl 3-(4-aminopyrazol-1-yl)benzoate
PubChem CID164952251
Molecular FormulaC75H82ClF2N19O8
Molecular Weight1451.05 g/mol
Exact Mass1449.63
IUPAC Name[3-(4-aminopyrazol-1-yl)phenyl]methanol;(2R)-N-[1-(2-chloro-5-fluoropyrimidin-4-yl)-3H-inden-4-yl]-3-methoxy-2-(4-methylpiperazin-1-yl)propanamide;(2R)-N-[1-[5-fluoro-2-[[1-[3-(hydroxymethyl)phenyl]pyrazol-4-yl]amino]pyrimidin-4-yl]-3H-inden-4-yl]-3-methoxy-2-(4-methylpiperazin-1-yl)propanamide;methyl 3-(4-aminopyrazol-1-yl)benzoate
SMILESCOC(=O)c1cccc(-n2cc(N)cn2)c1.COC[C@H](C(=O)Nc1cccc2c1CC=C2c1nc(Cl)ncc1F)N1CCN(C)CC1.COC[C@H](C(=O)Nc1cccc2c1CC=C2c1nc(Nc2cnn(-c3cccc(CO)c3)c2)ncc1F)N1CCN(C)CC1.Nc1cnn(-c2cccc(CO)c2)c1
InChIInChI=1S/C32H35FN8O3.C22H25ClFN5O2.C11H11N3O2.C10H11N3O/c1-39-11-13-40(14-12-39)29(20-44-2)31(43)37-28-8-4-7-24-25(28)9-10-26(24)30-27(33)17-34-32(38-30)36-22-16-35-41(18-22)23-6-3-5-21(15-23)19-42;1-28-8-10-29(11-9-28)19(13-31-2)21(30)26-18-5-3-4-14-15(18)6-7-16(14)20-17(24)12-25-22(23)27-20;1-16-11(15)8-3-2-4-10(5-8)14-7-9(12)6-13-14;11-9-5-12-13(6-9)10-3-1-2-8(4-10)7-14/h3-8,10,15-18,29,42H,9,11-14,19-20H2,1-2H3,(H,37,43)(H,34,36,38);3-5,7,12,19H,6,8-11,13H2,1-2H3,(H,26,30);2-7H,12H2,1H3;1-6,14H,7,11H2/t29-;19-;;/m11../s1
InChIKeyARQWMCCBTLKKBZ-OBGMEXHLSA-N
XLogP7.87
TPSA325.47 Ų
H-Bond Donors7
H-Bond Acceptors25
Rotatable Bonds20
Heavy Atoms105
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001451.05
LogP ≤ 57.87
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1025

Analyze [3-(4-aminopyrazol-1-yl)phenyl]methanol;(2R)-N-[1-(2-chloro-5-fluoropyrimidin-4-yl)-3H-inden-4-yl]-3-methoxy-2-(4-methylpiperazin-1-yl)propanamide;(2R)-N-[1-[5-fluoro-2-[[1-[3-(hydroxymethyl)phenyl]pyrazol-4-yl]amino]pyrimidin-4-yl]-3H-inden-4-yl]-3-methoxy-2-(4-methylpiperazin-1-yl)propanamide;methyl 3-(4-aminopyrazol-1-yl)benzoate with MolForge

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Related Compounds

2-(5-Fluoro-2-(hydroxymethyl)-3-(8-(5-(4-(oxetan-3-yl)piperazin-1-yl)pyridin-2-ylamino)imidazo[1,2-b]pyridazin-6-yl)phenyl)-3,4,6,7,8,9-hexahydro-pyrazino[1,2-a]indol-1(2H)-one
CID 71559323
2-[5-Fluoro-2-(hydroxymethyl)-3-[8-[[5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]-7-pentyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
CID 89549896
methyl 2-[4-[[5-fluoro-4-[7-[[(2R)-3-methoxy-2-(4-methylpiperazin-1-yl)propanoyl]amino]-1H-indol-3-yl]pyrimidin-2-yl]amino]pyrazol-1-yl]benzoate
CID 155228657
3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzoic acid;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[6-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]benzamide;6-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-amine
CID 157170803
methane;methyl 4-(2-chloro-5-methylpyrimidin-4-yl)benzoate;methyl 4-[5-methyl-2-[[1-(1,1,1-trifluoropropan-2-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzoate;methyl 4-[5-methyl-2-[[1-[(2S)-1,1,1-trifluoropropan-2-yl]pyrazol-4-yl]amino]pyrimidin-4-yl]benzoate;methyl 4-[5-methyl-2-[[1-[(2R)-1,1,1-trifluoropropan-2-yl]pyrazol-4-yl]amino]pyrimidin-4-yl]benzoate;1-(1,1,1-trifluoropropan-2-yl)pyrazol-4-amine
CID 167692879
methyl 2-[4-[[5-fluoro-4-[7-[[3-methoxy-2-(4-methylpiperazin-1-yl)propanoyl]amino]-1H-indol-3-yl]pyrimidin-2-yl]amino]pyrazol-1-yl]benzoate
CID 175200427
methyl 2-[4-[[5-fluoro-4-[4-[[(2R)-3-methoxy-2-(4-methylpiperazin-1-yl)propanoyl]amino]-3H-inden-1-yl]pyrimidin-2-yl]amino]pyrazol-1-yl]benzoate
CID 165072731
5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;4-tert-butyl-2-fluorobenzoic acid;5-[(2R,3R)-3-[(4-tert-butyl-2-fluorobenzoyl)amino]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;methyl 2-amino-4-tert-butylbenzoate;methyl 4-tert-butyl-2-fluorobenzoate
CID 157050386
7-[[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 6-[[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate
CID 157184425
(3R)-7-(2-chloro-5-methylpyrimidin-4-yl)-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;(3R)-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-7-[5-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;methyl 2-[[(3R)-7-(2-chloro-5-methylpyrimidin-4-yl)-3-(methoxymethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]methyl]-4-fluorobenzoate;propan-2-amine
CID 157998658
1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-N,4-dimethylbenzimidazole-2-carboxamide;1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-5-propan-2-ylpyrazole-3-carboxylic acid;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-methylpyrrolo[3,2-c]pyridin-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 158174630
1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-cyclopropyl-3-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-cyclopropyl-5-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;4-[[4-[1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-oxo-4-pyridinyl]pyrimidin-2-yl]amino]pyridine-2-carboxylic acid;1-[(1S)-1-(4-chlorophenyl)-2-hydroxyethyl]-4-[5-fluoro-2-[(2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chlorophenyl)-2-hydroxyethyl]-4-[5-fluoro-2-[(3-methyl-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;methyl 4-[[4-[1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-oxo-4-pyridinyl]pyrimidin-2-yl]amino]pyridine-2-carboxylate
CID 159415850

Frequently Asked Questions

What is the IUPAC name of [3-(4-aminopyrazol-1-yl)phenyl]methanol;(2R)-N-[1-(2-chloro-5-fluoropyrimidin-4-yl)-3H-inden-4-yl]-3-methoxy-2-(4-methylpiperazin-1-yl)propanamide;(2R)-N-[1-[5-fluoro-2-[[1-[3-(hydroxymethyl)phenyl]pyrazol-4-yl]amino]pyrimidin-4-yl]-3H-inden-4-yl]-3-methoxy-2-(4-methylpiperazin-1-yl)propanamide;methyl 3-(4-aminopyrazol-1-yl)benzoate?
The IUPAC name of [3-(4-aminopyrazol-1-yl)phenyl]methanol;(2R)-N-[1-(2-chloro-5-fluoropyrimidin-4-yl)-3H-inden-4-yl]-3-methoxy-2-(4-methylpiperazin-1-yl)propanamide;(2R)-N-[1-[5-fluoro-2-[[1-[3-(hydroxymethyl)phenyl]pyrazol-4-yl]amino]pyrimidin-4-yl]-3H-inden-4-yl]-3-methoxy-2-(4-methylpiperazin-1-yl)propanamide;methyl 3-(4-aminopyrazol-1-yl)benzoate (CID 164952251) is [3-(4-aminopyrazol-1-yl)phenyl]methanol;(2R)-N-[1-(2-chloro-5-fluoropyrimidin-4-yl)-3H-inden-4-yl]-3-methoxy-2-(4-methylpiperazin-1-yl)propanamide;(2R)-N-[1-[5-fluoro-2-[[1-[3-(hydroxymethyl)phenyl]pyrazol-4-yl]amino]pyrimidin-4-yl]-3H-inden-4-yl]-3-methoxy-2-(4-methylpiperazin-1-yl)propanamide;methyl 3-(4-aminopyrazol-1-yl)benzoate.
What is the SMILES notation for [3-(4-aminopyrazol-1-yl)phenyl]methanol;(2R)-N-[1-(2-chloro-5-fluoropyrimidin-4-yl)-3H-inden-4-yl]-3-methoxy-2-(4-methylpiperazin-1-yl)propanamide;(2R)-N-[1-[5-fluoro-2-[[1-[3-(hydroxymethyl)phenyl]pyrazol-4-yl]amino]pyrimidin-4-yl]-3H-inden-4-yl]-3-methoxy-2-(4-methylpiperazin-1-yl)propanamide;methyl 3-(4-aminopyrazol-1-yl)benzoate?
The canonical SMILES for [3-(4-aminopyrazol-1-yl)phenyl]methanol;(2R)-N-[1-(2-chloro-5-fluoropyrimidin-4-yl)-3H-inden-4-yl]-3-methoxy-2-(4-methylpiperazin-1-yl)propanamide;(2R)-N-[1-[5-fluoro-2-[[1-[3-(hydroxymethyl)phenyl]pyrazol-4-yl]amino]pyrimidin-4-yl]-3H-inden-4-yl]-3-methoxy-2-(4-methylpiperazin-1-yl)propanamide;methyl 3-(4-aminopyrazol-1-yl)benzoate is COC(=O)c1cccc(-n2cc(N)cn2)c1.COC[C@H](C(=O)Nc1cccc2c1CC=C2c1nc(Cl)ncc1F)N1CCN(C)CC1.COC[C@H](C(=O)Nc1cccc2c1CC=C2c1nc(Nc2cnn(-c3cccc(CO)c3)c2)ncc1F)N1CCN(C)CC1.Nc1cnn(-c2cccc(CO)c2)c1.
What is the InChIKey of [3-(4-aminopyrazol-1-yl)phenyl]methanol;(2R)-N-[1-(2-chloro-5-fluoropyrimidin-4-yl)-3H-inden-4-yl]-3-methoxy-2-(4-methylpiperazin-1-yl)propanamide;(2R)-N-[1-[5-fluoro-2-[[1-[3-(hydroxymethyl)phenyl]pyrazol-4-yl]amino]pyrimidin-4-yl]-3H-inden-4-yl]-3-methoxy-2-(4-methylpiperazin-1-yl)propanamide;methyl 3-(4-aminopyrazol-1-yl)benzoate?
The InChIKey is ARQWMCCBTLKKBZ-OBGMEXHLSA-N. The full InChI is InChI=1S/C32H35FN8O3.C22H25ClFN5O2.C11H11N3O2.C10H11N3O/c1-39-11-13-40(14-12-39)29(20-44-2)31(43)37-28-8-4-7-24-25(28)9-10-26(24)30-27(33)17-34-32(38-30)36-22-16-35-41(18-22)23-6-3-5-21(15-23)19-42;1-28-8-10-29(11-9-28)19(13-31-2)21(30)26-18-5-3-4-14-15(18)6-7-16(14)20-17(24)12-25-22(23)27-20;1-16-11(15)8-3-2-4-10(5-8)14-7-9(12)6-13-14;11-9-5-12-13(6-9)10-3-1-2-8(4-10)7-14/h3-8,10,15-18,29,42H,9,11-14,19-20H2,1-2H3,(H,37,43)(H,34,36,38);3-5,7,12,19H,6,8-11,13H2,1-2H3,(H,26,30);2-7H,12H2,1H3;1-6,14H,7,11H2/t29-;19-;;/m11../s1.
What are the key properties of [3-(4-aminopyrazol-1-yl)phenyl]methanol;(2R)-N-[1-(2-chloro-5-fluoropyrimidin-4-yl)-3H-inden-4-yl]-3-methoxy-2-(4-methylpiperazin-1-yl)propanamide;(2R)-N-[1-[5-fluoro-2-[[1-[3-(hydroxymethyl)phenyl]pyrazol-4-yl]amino]pyrimidin-4-yl]-3H-inden-4-yl]-3-methoxy-2-(4-methylpiperazin-1-yl)propanamide;methyl 3-(4-aminopyrazol-1-yl)benzoate?
[3-(4-aminopyrazol-1-yl)phenyl]methanol;(2R)-N-[1-(2-chloro-5-fluoropyrimidin-4-yl)-3H-inden-4-yl]-3-methoxy-2-(4-methylpiperazin-1-yl)propanamide;(2R)-N-[1-[5-fluoro-2-[[1-[3-(hydroxymethyl)phenyl]pyrazol-4-yl]amino]pyrimidin-4-yl]-3H-inden-4-yl]-3-methoxy-2-(4-methylpiperazin-1-yl)propanamide;methyl 3-(4-aminopyrazol-1-yl)benzoate has a molecular weight of 1451.05 g/mol, XLogP of 7.87, 20 rotatable bonds, 7 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-aminopyrazol-1-yl)phenyl]methanol;(2R)-N-[1-(2-chloro-5-fluoropyrimidin-4-yl)-3H-inden-4-yl]-3-methoxy-2-(4-methylpiperazin-1-yl)propanamide;(2R)-N-[1-[5-fluoro-2-[[1-[3-(hydroxymethyl)phenyl]pyrazol-4-yl]amino]pyrimidin-4-yl]-3H-inden-4-yl]-3-methoxy-2-(4-methylpiperazin-1-yl)propanamide;methyl 3-(4-aminopyrazol-1-yl)benzoate is sourced from PubChem (CID 164952251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).