3-(2-aminopyrimidin-4-yl)-N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-1H-pyrazole-5-carboxamide;N-[2-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-pyridin-4-ylpyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxyethyl]-1-methyl-5-pyridin-4-ylpyrazole-3-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide

C105H98Cl2F4N26O11 — CID 161055231

IUPAC3-(2-aminopyrimidin-4-yl)-N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-1H-pyrazole-5-carboxamide;N-[2-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-pyridin-4-ylpyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxyethyl]-1-methyl-5-pyridin-4-ylpyrazole-3-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
SMILESCC(C)(O)C(NC(=O)c1cc(-c2ccncc2)n[nH]1)c1cccc(F)c1.Cn1nc(-c2ccncc2)cc1C(=O)NC(CO)c1cccc(F)c1.Cn1nc(C(=O)NC(CO)c2cccc(F)c2)cc1-c1ccncc1.Nc1nccc(-c2cc(C(=O)N[C@H](CO)c3cccc(F)c3)[nH]n2)n1.O=C(NC(CO)c1ccc(Cl)cc1)c1cc(-c2ccncc2)n[nH]1.O=C(NCCc1cccc(Cl)c1)c1cc(-c2ccncc2)n[nH]1
InChIInChI=1S/C19H19FN4O2.2C18H17FN4O2.C17H15ClN4O2.C17H15ClN4O.C16H15FN6O2/c1-19(2,26)17(13-4-3-5-14(20)10-13)22-18(25)16-11-15(23-24-16)12-6-8-21-9-7-12;1-23-17(12-5-7-20-8-6-12)10-15(22-23)18(25)21-16(11-24)13-3-2-4-14(19)9-13;1-23-17(10-15(22-23)12-5-7-20-8-6-12)18(25)21-16(11-24)13-3-2-4-14(19)9-13;18-13-3-1-11(2-4-13)16(10-23)20-17(24)15-9-14(21-22-15)12-5-7-19-8-6-12;18-14-3-1-2-12(10-14)4-9-20-17(23)16-11-15(21-22-16)13-5-7-19-8-6-13;17-10-3-1-2-9(6-10)14(8-24)20-15(25)13-7-12(22-23-13)11-4-5-19-16(18)21-11/h3-11,17,26H,1-2H3,(H,22,25)(H,23,24);2*2-10,16,24H,11H2,1H3,(H,21,25);1-9,16,23H,10H2,(H,20,24)(H,21,22);1-3,5-8,10-11H,4,9H2,(H,20,23)(H,21,22);1-7,14,24H,8H2,(H,20,25)(H,22,23)(H2,18,19,21)/t;;;;;14-/m.....1/s1
InChIKeyUCQRVNLIDKUVCA-IWIOUCEBSA-N
MW2047.01 g/mol
LogP13.76
Rot. Bonds30

About 3-(2-aminopyrimidin-4-yl)-N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-1H-pyrazole-5-carboxamide;N-[2-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-pyridin-4-ylpyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxyethyl]-1-methyl-5-pyridin-4-ylpyrazole-3-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide

3-(2-aminopyrimidin-4-yl)-N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-1H-pyrazole-5-carboxamide;N-[2-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-pyridin-4-ylpyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxyethyl]-1-methyl-5-pyridin-4-ylpyrazole-3-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide (PubChem CID 161055231) has the molecular formula C105H98Cl2F4N26O11 and a molecular weight of 2047.01 g/mol. Its IUPAC name is 3-(2-aminopyrimidin-4-yl)-N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-1H-pyrazole-5-carboxamide;N-[2-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-pyridin-4-ylpyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxyethyl]-1-methyl-5-pyridin-4-ylpyrazole-3-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-aminopyrimidin-4-yl)-N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-1H-pyrazole-5-carboxamide;N-[2-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-pyridin-4-ylpyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxyethyl]-1-methyl-5-pyridin-4-ylpyrazole-3-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
PubChem CID161055231
Molecular FormulaC105H98Cl2F4N26O11
Molecular Weight2047.01 g/mol
Exact Mass2044.72
IUPAC Name3-(2-aminopyrimidin-4-yl)-N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-1H-pyrazole-5-carboxamide;N-[2-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-pyridin-4-ylpyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxyethyl]-1-methyl-5-pyridin-4-ylpyrazole-3-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
SMILESCC(C)(O)C(NC(=O)c1cc(-c2ccncc2)n[nH]1)c1cccc(F)c1.Cn1nc(-c2ccncc2)cc1C(=O)NC(CO)c1cccc(F)c1.Cn1nc(C(=O)NC(CO)c2cccc(F)c2)cc1-c1ccncc1.Nc1nccc(-c2cc(C(=O)N[C@H](CO)c3cccc(F)c3)[nH]n2)n1.O=C(NC(CO)c1ccc(Cl)cc1)c1cc(-c2ccncc2)n[nH]1.O=C(NCCc1cccc(Cl)c1)c1cc(-c2ccncc2)n[nH]1
InChIInChI=1S/C19H19FN4O2.2C18H17FN4O2.C17H15ClN4O2.C17H15ClN4O.C16H15FN6O2/c1-19(2,26)17(13-4-3-5-14(20)10-13)22-18(25)16-11-15(23-24-16)12-6-8-21-9-7-12;1-23-17(12-5-7-20-8-6-12)10-15(22-23)18(25)21-16(11-24)13-3-2-4-14(19)9-13;1-23-17(10-15(22-23)12-5-7-20-8-6-12)18(25)21-16(11-24)13-3-2-4-14(19)9-13;18-13-3-1-11(2-4-13)16(10-23)20-17(24)15-9-14(21-22-15)12-5-7-19-8-6-12;18-14-3-1-2-12(10-14)4-9-20-17(23)16-11-15(21-22-16)13-5-7-19-8-6-13;17-10-3-1-2-9(6-10)14(8-24)20-15(25)13-7-12(22-23-13)11-4-5-19-16(18)21-11/h3-11,17,26H,1-2H3,(H,22,25)(H,23,24);2*2-10,16,24H,11H2,1H3,(H,21,25);1-9,16,23H,10H2,(H,20,24)(H,21,22);1-3,5-8,10-11H,4,9H2,(H,20,23)(H,21,22);1-7,14,24H,8H2,(H,20,25)(H,22,23)(H2,18,19,21)/t;;;;;14-/m.....1/s1
InChIKeyUCQRVNLIDKUVCA-IWIOUCEBSA-N
XLogP13.76
TPSA542.36 Ų
H-Bond Donors16
H-Bond Acceptors27
Rotatable Bonds30
Heavy Atoms148
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002047.01
LogP ≤ 513.76
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1027

Analyze 3-(2-aminopyrimidin-4-yl)-N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-1H-pyrazole-5-carboxamide;N-[2-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-pyridin-4-ylpyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxyethyl]-1-methyl-5-pyridin-4-ylpyrazole-3-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide with MolForge

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Related Compounds

1-[4-[3-(3-chloro-2-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(3-chloro-5-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(5-chloro-2-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-chlorophenyl)-4-[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-[2-fluoro-3-(trifluoromethyl)phenyl]-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-[2-fluoro-5-(trifluoromethyl)phenyl]-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-[3-fluoro-5-(trifluoromethyl)phenyl]-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone
CID 158644925
4-[5-[(Z)-5-amino-3-imino-4-methyl-2-oxohex-4-enyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N,N-diethylpyridine-2-carboxamide;4-[5-[(Z)-5-amino-3-imino-4-methyl-2-oxohex-4-enyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide;4-[5-[(Z)-5-amino-3-imino-4-methyl-2-oxohex-4-enyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-propan-2-ylpyridine-2-carboxamide;4-[5-[(Z)-5-amino-3-imino-4-methyl-2-oxohex-4-enyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-propylpyridine-2-carboxamide;1-(4-chloro-5-methyl-1H-pyrazol-3-yl)-2-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;1-[5-chloro-4-(trifluoromethyl)-1H-pyrazol-3-yl]-2-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;4-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-2-carboxamide;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone
CID 159545691
8-[(3-chlorophenyl)methyl]-N-[(1R)-2-hydroxy-1-phenylethyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;8-[(3-chlorophenyl)methyl]-N-[(1R)-1-phenylethyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;1-cyclohexyl-8-[(3-fluorophenyl)methyl]-N-[(1R)-1-phenylethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 160930098
4-(2-anilinopyrimidin-4-yl)-3,5-dimethyl-N-propyl-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3,5-dimethyl-4-[2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-(ethoxyamino)pyrimidin-4-yl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 161391041
4-(4-anilino-1,3,5-triazin-2-yl)-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1-methylpyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[4-[(4,4,4-trifluoro-1-hydroxybutan-2-yl)amino]-1,3,5-triazin-2-yl]-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[4-(3,3,3-trifluoropropylamino)-1,3,5-triazin-2-yl]-1H-pyrrole-2-carboxamide;N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-4-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide
CID 161523635
1-(4-chloro-5-methyl-1H-pyrazol-3-yl)-2-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;1-[5-chloro-4-(trifluoromethyl)-1H-pyrazol-3-yl]-2-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;4-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N,N-diethylpyridine-2-carboxamide;4-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-2-carboxamide;4-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-propan-2-ylpyridine-2-carboxamide;4-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-propylpyridine-2-carboxamide;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone
CID 161878989
1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1,3-dimethylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-ethylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[[(2S)-1-(methylamino)propan-2-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3-methylimidazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-methyl-1H-imidazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one
CID 157088138
CID 157182671
CID 157182671
N-[(1S)-2-amino-1-(3-chlorophenyl)ethyl]-4-[2-amino-5-(1,5-dimethylpyrazol-4-yl)-3-pyridinyl]-2-fluorobenzamide;4-[2-amino-5-[1-(difluoromethyl)-5-methylpyrazol-4-yl]-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-(1,5-dimethylpyrazol-4-yl)pyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide;4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 157188792
N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3,5-dimethyl-4-(2-piperazin-1-ylpyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3,5-dimethyl-4-(2-piperidin-1-ylpyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3,5-dimethyl-4-[3-(propan-2-ylamino)-1,2,4-triazin-5-yl]-1H-pyrrole-2-carboxamide
CID 157301319
4-[2-amino-5-(2,3-dimethylimidazol-4-yl)-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[2-amino-5-(2,3-dimethylimidazol-4-yl)-3-pyridinyl]-2-fluoro-N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]benzamide;4-[2-amino-5-[1-(2-methoxyethyl)pyrazol-4-yl]-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 157490051
N-benzyl-4-(6-chloropyrimidin-4-yl)-3-phenyl-1H-pyrrole-2-carboxamide;4-(2-chloro-5-methyl-4-pyridinyl)-N-(1,2-dihydroxy-2-phenylethyl)-1H-pyrrole-2-carboxamide;N-[2-(3-chlorophenyl)-1,2-dihydroxyethyl]-4-(2-chloro-4-pyridinyl)-1H-pyrrole-2-carboxamide;4-(6-chloropyrimidin-4-yl)-N-[1-(hydroxymethyl)cyclopentyl]-1H-pyrrole-2-carboxamide;4-(6-chloropyrimidin-4-yl)-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide
CID 157524341

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopyrimidin-4-yl)-N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-1H-pyrazole-5-carboxamide;N-[2-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-pyridin-4-ylpyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxyethyl]-1-methyl-5-pyridin-4-ylpyrazole-3-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(2-aminopyrimidin-4-yl)-N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-1H-pyrazole-5-carboxamide;N-[2-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-pyridin-4-ylpyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxyethyl]-1-methyl-5-pyridin-4-ylpyrazole-3-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide (CID 161055231) is 3-(2-aminopyrimidin-4-yl)-N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-1H-pyrazole-5-carboxamide;N-[2-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-pyridin-4-ylpyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxyethyl]-1-methyl-5-pyridin-4-ylpyrazole-3-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-aminopyrimidin-4-yl)-N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-1H-pyrazole-5-carboxamide;N-[2-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-pyridin-4-ylpyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxyethyl]-1-methyl-5-pyridin-4-ylpyrazole-3-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(2-aminopyrimidin-4-yl)-N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-1H-pyrazole-5-carboxamide;N-[2-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-pyridin-4-ylpyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxyethyl]-1-methyl-5-pyridin-4-ylpyrazole-3-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide is CC(C)(O)C(NC(=O)c1cc(-c2ccncc2)n[nH]1)c1cccc(F)c1.Cn1nc(-c2ccncc2)cc1C(=O)NC(CO)c1cccc(F)c1.Cn1nc(C(=O)NC(CO)c2cccc(F)c2)cc1-c1ccncc1.Nc1nccc(-c2cc(C(=O)N[C@H](CO)c3cccc(F)c3)[nH]n2)n1.O=C(NC(CO)c1ccc(Cl)cc1)c1cc(-c2ccncc2)n[nH]1.O=C(NCCc1cccc(Cl)c1)c1cc(-c2ccncc2)n[nH]1.
What is the InChIKey of 3-(2-aminopyrimidin-4-yl)-N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-1H-pyrazole-5-carboxamide;N-[2-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-pyridin-4-ylpyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxyethyl]-1-methyl-5-pyridin-4-ylpyrazole-3-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?
The InChIKey is UCQRVNLIDKUVCA-IWIOUCEBSA-N. The full InChI is InChI=1S/C19H19FN4O2.2C18H17FN4O2.C17H15ClN4O2.C17H15ClN4O.C16H15FN6O2/c1-19(2,26)17(13-4-3-5-14(20)10-13)22-18(25)16-11-15(23-24-16)12-6-8-21-9-7-12;1-23-17(12-5-7-20-8-6-12)10-15(22-23)18(25)21-16(11-24)13-3-2-4-14(19)9-13;1-23-17(10-15(22-23)12-5-7-20-8-6-12)18(25)21-16(11-24)13-3-2-4-14(19)9-13;18-13-3-1-11(2-4-13)16(10-23)20-17(24)15-9-14(21-22-15)12-5-7-19-8-6-12;18-14-3-1-2-12(10-14)4-9-20-17(23)16-11-15(21-22-16)13-5-7-19-8-6-13;17-10-3-1-2-9(6-10)14(8-24)20-15(25)13-7-12(22-23-13)11-4-5-19-16(18)21-11/h3-11,17,26H,1-2H3,(H,22,25)(H,23,24);2*2-10,16,24H,11H2,1H3,(H,21,25);1-9,16,23H,10H2,(H,20,24)(H,21,22);1-3,5-8,10-11H,4,9H2,(H,20,23)(H,21,22);1-7,14,24H,8H2,(H,20,25)(H,22,23)(H2,18,19,21)/t;;;;;14-/m.....1/s1.
What are the key properties of 3-(2-aminopyrimidin-4-yl)-N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-1H-pyrazole-5-carboxamide;N-[2-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-pyridin-4-ylpyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxyethyl]-1-methyl-5-pyridin-4-ylpyrazole-3-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?
3-(2-aminopyrimidin-4-yl)-N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-1H-pyrazole-5-carboxamide;N-[2-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-pyridin-4-ylpyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxyethyl]-1-methyl-5-pyridin-4-ylpyrazole-3-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide has a molecular weight of 2047.01 g/mol, XLogP of 13.76, 30 rotatable bonds, 16 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminopyrimidin-4-yl)-N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-1H-pyrazole-5-carboxamide;N-[2-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-pyridin-4-ylpyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxyethyl]-1-methyl-5-pyridin-4-ylpyrazole-3-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 161055231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).