N-[2-(dimethylamino)-1-phenylethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;1-[(3-fluorophenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-(2-hydroxyethyl)-1-[(3-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-[1-(3-methoxyphenyl)ethyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-[(3-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazol-3-yl)urea

C107H111FN30O12 — CID 158158723

IUPACN-[2-(dimethylamino)-1-phenylethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;1-[(3-fluorophenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-(2-hydroxyethyl)-1-[(3-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-[1-(3-methoxyphenyl)ethyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-[(3-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazol-3-yl)urea
SMILESCN(C)CC(NC(=O)c1cc(-c2ccncc2)n[nH]1)c1ccccc1.COc1cccc(C(C)NC(=O)Nc2cnn(-c3ccncc3)c2)c1.COc1cccc(C(CO)NC(=O)Nc2cnn(-c3ccncc3)c2)c1.COc1cccc(CN(CCO)C(=O)Nc2cnn(-c3ccncc3)c2)c1.COc1cccc(CNC(=O)Nc2ccn(-c3ccncc3)n2)c1.O=C(NCc1cccc(F)c1)Nc1cnn(-c2ccncc2)c1
InChIInChI=1S/C19H21N5O3.C19H21N5O.C18H19N5O3.C18H19N5O2.C17H17N5O2.C16H14FN5O/c1-27-18-4-2-3-15(11-18)13-23(9-10-25)19(26)22-16-12-21-24(14-16)17-5-7-20-8-6-17;1-24(2)13-18(14-6-4-3-5-7-14)21-19(25)17-12-16(22-23-17)15-8-10-20-11-9-15;1-26-16-4-2-3-13(9-16)17(12-24)22-18(25)21-14-10-20-23(11-14)15-5-7-19-8-6-15;1-13(14-4-3-5-17(10-14)25-2)21-18(24)22-15-11-20-23(12-15)16-6-8-19-9-7-16;1-24-15-4-2-3-13(11-15)12-19-17(23)20-16-7-10-22(21-16)14-5-8-18-9-6-14;17-13-3-1-2-12(8-13)9-19-16(23)21-14-10-20-22(11-14)15-4-6-18-7-5-15/h2-8,11-12,14,25H,9-10,13H2,1H3,(H,22,26);3-12,18H,13H2,1-2H3,(H,21,25)(H,22,23);2-11,17,24H,12H2,1H3,(H2,21,22,25);3-13H,1-2H3,(H2,21,22,24);2-11H,12H2,1H3,(H2,19,20,21,23);1-8,10-11H,9H2,(H2,19,21,23)
InChIKeyFVZUXIGWCLPKJM-UHFFFAOYSA-N
MW2028.26 g/mol
LogP15.42
Rot. Bonds33

About N-[2-(dimethylamino)-1-phenylethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;1-[(3-fluorophenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-(2-hydroxyethyl)-1-[(3-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-[1-(3-methoxyphenyl)ethyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-[(3-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazol-3-yl)urea

N-[2-(dimethylamino)-1-phenylethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;1-[(3-fluorophenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-(2-hydroxyethyl)-1-[(3-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-[1-(3-methoxyphenyl)ethyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-[(3-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazol-3-yl)urea (PubChem CID 158158723) has the molecular formula C107H111FN30O12 and a molecular weight of 2028.26 g/mol. Its IUPAC name is N-[2-(dimethylamino)-1-phenylethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;1-[(3-fluorophenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-(2-hydroxyethyl)-1-[(3-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-[1-(3-methoxyphenyl)ethyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-[(3-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazol-3-yl)urea.

Molecular Properties

Compound NameN-[2-(dimethylamino)-1-phenylethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;1-[(3-fluorophenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-(2-hydroxyethyl)-1-[(3-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-[1-(3-methoxyphenyl)ethyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-[(3-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazol-3-yl)urea
PubChem CID158158723
Molecular FormulaC107H111FN30O12
Molecular Weight2028.26 g/mol
Exact Mass2026.90
IUPAC NameN-[2-(dimethylamino)-1-phenylethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;1-[(3-fluorophenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-(2-hydroxyethyl)-1-[(3-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-[1-(3-methoxyphenyl)ethyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-[(3-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazol-3-yl)urea
SMILESCN(C)CC(NC(=O)c1cc(-c2ccncc2)n[nH]1)c1ccccc1.COc1cccc(C(C)NC(=O)Nc2cnn(-c3ccncc3)c2)c1.COc1cccc(C(CO)NC(=O)Nc2cnn(-c3ccncc3)c2)c1.COc1cccc(CN(CCO)C(=O)Nc2cnn(-c3ccncc3)c2)c1.COc1cccc(CNC(=O)Nc2ccn(-c3ccncc3)n2)c1.O=C(NCc1cccc(F)c1)Nc1cnn(-c2ccncc2)c1
InChIInChI=1S/C19H21N5O3.C19H21N5O.C18H19N5O3.C18H19N5O2.C17H17N5O2.C16H14FN5O/c1-27-18-4-2-3-15(11-18)13-23(9-10-25)19(26)22-16-12-21-24(14-16)17-5-7-20-8-6-17;1-24(2)13-18(14-6-4-3-5-7-14)21-19(25)17-12-16(22-23-17)15-8-10-20-11-9-15;1-26-16-4-2-3-13(9-16)17(12-24)22-18(25)21-14-10-20-23(11-14)15-5-7-19-8-6-15;1-13(14-4-3-5-17(10-14)25-2)21-18(24)22-15-11-20-23(12-15)16-6-8-19-9-7-16;1-24-15-4-2-3-13(11-15)12-19-17(23)20-16-7-10-22(21-16)14-5-8-18-9-6-14;17-13-3-1-2-12(8-13)9-19-16(23)21-14-10-20-22(11-14)15-4-6-18-7-5-15/h2-8,11-12,14,25H,9-10,13H2,1H3,(H,22,26);3-12,18H,13H2,1-2H3,(H,21,25)(H,22,23);2-11,17,24H,12H2,1H3,(H2,21,22,25);3-13H,1-2H3,(H2,21,22,24);2-11H,12H2,1H3,(H2,19,20,21,23);1-8,10-11H,9H2,(H2,19,21,23)
InChIKeyFVZUXIGWCLPKJM-UHFFFAOYSA-N
XLogP15.42
TPSA501.70 Ų
H-Bond Donors13
H-Bond Acceptors30
Rotatable Bonds33
Heavy Atoms150
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002028.26
LogP ≤ 515.42
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1030

Analyze N-[2-(dimethylamino)-1-phenylethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;1-[(3-fluorophenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-(2-hydroxyethyl)-1-[(3-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-[1-(3-methoxyphenyl)ethyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-[(3-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazol-3-yl)urea with MolForge

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Related Compounds

5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(dimethylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide
CID 157110041
1-[4-(6-acetamidopyridazin-3-yl)-2-fluorobutyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;N-[6-[4-[4-[4-(hydroxymethyl)hexanoyl]triazol-1-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[6-[4-[4-(4-methoxybutanoyl)triazol-1-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-methyl-1-[4-[6-[2-oxo-3-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-[6-[4-(4-pentanoyltriazol-1-yl)butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 157392526
5-(5-amino-3-pyridinyl)-N-(6-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(6-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide;methane;N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide
CID 157725454
3-[4-(1,1-difluoroethoxy)phenyl]-1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]propan-1-one;N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]methyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[[6-(4-methylpyrazol-1-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide
CID 157956965
6-[(3S,4S)-3-amino-4-hydroxypyrrolidin-1-yl]-N-[4-[chloro(difluoro)methoxy]phenyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;5-(3-cyano-1H-pyrazol-5-yl)-6-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-[5-(hydroxymethyl)-1H-pyrazol-3-yl]-6-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(1H-pyrazol-5-yl)-6-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 158304871
N-[4-[chloro(difluoro)methoxy]phenyl]-5-(4-fluoro-1H-pyrazol-5-yl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-5-[1-(2-hydroxyethyl)pyrazol-4-yl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(2-methylpyrazol-3-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(5-methyl-1H-pyrazol-3-yl)pyridine-3-carboxamide;5-(4-fluoro-1H-pyrazol-5-yl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(4-methyl-1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(5-methyl-1H-pyrazol-3-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 158499747
3-butoxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-[3-(dimethylcarbamoyl)phenyl]-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-(2-phenylethoxy)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;4-phenyl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-propoxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;N-[[4-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]benzamide
CID 158575830
1-[4-(6-acetamidopyridazin-3-yl)-2-fluorobutyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;N-[6-[4-[4-[4-(hydroxymethyl)hexanoyl]triazol-1-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[6-[4-[4-(4-methoxybutanoyl)triazol-1-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-methyl-1-[4-[6-[3-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-[6-[4-(4-pentanoyltriazol-1-yl)butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 158719636
N-[4-[chloro(difluoro)methoxy]phenyl]-5-(4-fluoro-1H-pyrazol-5-yl)-6-[(3S)-3-methylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1-methylpyrazol-3-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(4-methyl-1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1-methylpyrazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 158906412
3-(cyclohexen-1-yl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-[4-(dimethylcarbamoyl)phenyl]-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;methyl 3-[3-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]phenyl]benzoate;3-phenyl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]-3-pyrimidin-5-ylbenzamide;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-3-(2-pyrrolidin-1-ylethoxy)benzamide;N-[5-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]benzamide
CID 159277482
N-benzyl-1-[4-[6-[[2-[2-fluoro-5-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-cyclopropyl-1-[4-[6-[[2-[2-fluoro-5-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;1-[4-[6-[[2-[2-fluoro-5-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]-N-(2-methoxyethyl)triazole-4-carboxamide;1-[4-[6-[[2-[2-fluoro-5-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide;1-[4-[6-[[2-[2-fluoro-5-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]-N-(pyridin-4-ylmethyl)triazole-4-carboxamide
CID 159472168
6-[(3R,4R)-3-amino-4-fluoropyrrolidin-1-yl]-N-[4-[chloro(difluoro)methoxy]phenyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;6-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S,4S)-3-(aminomethyl)-4-hydroxypyrrolidin-1-yl]-N-[4-[chloro(difluoro)methoxy]phenyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3S,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;6-[(3S,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 159512479

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-1-phenylethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;1-[(3-fluorophenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-(2-hydroxyethyl)-1-[(3-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-[1-(3-methoxyphenyl)ethyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-[(3-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazol-3-yl)urea?
The IUPAC name of N-[2-(dimethylamino)-1-phenylethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;1-[(3-fluorophenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-(2-hydroxyethyl)-1-[(3-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-[1-(3-methoxyphenyl)ethyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-[(3-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazol-3-yl)urea (CID 158158723) is N-[2-(dimethylamino)-1-phenylethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;1-[(3-fluorophenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-(2-hydroxyethyl)-1-[(3-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-[1-(3-methoxyphenyl)ethyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-[(3-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazol-3-yl)urea.
What is the SMILES notation for N-[2-(dimethylamino)-1-phenylethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;1-[(3-fluorophenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-(2-hydroxyethyl)-1-[(3-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-[1-(3-methoxyphenyl)ethyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-[(3-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazol-3-yl)urea?
The canonical SMILES for N-[2-(dimethylamino)-1-phenylethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;1-[(3-fluorophenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-(2-hydroxyethyl)-1-[(3-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-[1-(3-methoxyphenyl)ethyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-[(3-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazol-3-yl)urea is CN(C)CC(NC(=O)c1cc(-c2ccncc2)n[nH]1)c1ccccc1.COc1cccc(C(C)NC(=O)Nc2cnn(-c3ccncc3)c2)c1.COc1cccc(C(CO)NC(=O)Nc2cnn(-c3ccncc3)c2)c1.COc1cccc(CN(CCO)C(=O)Nc2cnn(-c3ccncc3)c2)c1.COc1cccc(CNC(=O)Nc2ccn(-c3ccncc3)n2)c1.O=C(NCc1cccc(F)c1)Nc1cnn(-c2ccncc2)c1.
What is the InChIKey of N-[2-(dimethylamino)-1-phenylethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;1-[(3-fluorophenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-(2-hydroxyethyl)-1-[(3-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-[1-(3-methoxyphenyl)ethyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-[(3-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazol-3-yl)urea?
The InChIKey is FVZUXIGWCLPKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3.C19H21N5O.C18H19N5O3.C18H19N5O2.C17H17N5O2.C16H14FN5O/c1-27-18-4-2-3-15(11-18)13-23(9-10-25)19(26)22-16-12-21-24(14-16)17-5-7-20-8-6-17;1-24(2)13-18(14-6-4-3-5-7-14)21-19(25)17-12-16(22-23-17)15-8-10-20-11-9-15;1-26-16-4-2-3-13(9-16)17(12-24)22-18(25)21-14-10-20-23(11-14)15-5-7-19-8-6-15;1-13(14-4-3-5-17(10-14)25-2)21-18(24)22-15-11-20-23(12-15)16-6-8-19-9-7-16;1-24-15-4-2-3-13(11-15)12-19-17(23)20-16-7-10-22(21-16)14-5-8-18-9-6-14;17-13-3-1-2-12(8-13)9-19-16(23)21-14-10-20-22(11-14)15-4-6-18-7-5-15/h2-8,11-12,14,25H,9-10,13H2,1H3,(H,22,26);3-12,18H,13H2,1-2H3,(H,21,25)(H,22,23);2-11,17,24H,12H2,1H3,(H2,21,22,25);3-13H,1-2H3,(H2,21,22,24);2-11H,12H2,1H3,(H2,19,20,21,23);1-8,10-11H,9H2,(H2,19,21,23).
What are the key properties of N-[2-(dimethylamino)-1-phenylethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;1-[(3-fluorophenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-(2-hydroxyethyl)-1-[(3-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-[1-(3-methoxyphenyl)ethyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-[(3-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazol-3-yl)urea?
N-[2-(dimethylamino)-1-phenylethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;1-[(3-fluorophenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-(2-hydroxyethyl)-1-[(3-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-[1-(3-methoxyphenyl)ethyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-[(3-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazol-3-yl)urea has a molecular weight of 2028.26 g/mol, XLogP of 15.42, 33 rotatable bonds, 13 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-1-phenylethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;1-[(3-fluorophenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-(2-hydroxyethyl)-1-[(3-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-[1-(3-methoxyphenyl)ethyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea;1-[(3-methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazol-3-yl)urea is sourced from PubChem (CID 158158723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).