4-[3-(4-chlorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]pyrimidine;2-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]ethanamine;2-[3-(4-chlorophenyl)-4-pyrimidin-4-ylpyrazol-1-yl]ethanol;4-[3-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]pyrimidine;2-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]ethanamine

C81H77Cl3F2N24O — CID 160637111

IUPAC4-[3-(4-chlorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]pyrimidine;2-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]ethanamine;2-[3-(4-chlorophenyl)-4-pyrimidin-4-ylpyrazol-1-yl]ethanol;4-[3-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]pyrimidine;2-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]ethanamine
SMILESClc1ccc(-c2n[nH]c(C3CCNCC3)c2-c2ccncn2)cc1.Fc1ccc(-c2n[nH]c(C3CCNCC3)c2-c2ccncn2)cc1.NCCc1[nH]nc(-c2ccc(Cl)cc2)c1-c1ccncn1.NCCc1[nH]nc(-c2ccc(F)cc2)c1-c1ccncn1.OCCn1cc(-c2ccncn2)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C18H18ClN5.C18H18FN5.C15H14ClN5.C15H13ClN4O.C15H14FN5/c2*19-14-3-1-12(2-4-14)17-16(15-7-10-21-11-22-15)18(24-23-17)13-5-8-20-9-6-13;16-11-3-1-10(2-4-11)15-14(12-6-8-18-9-19-12)13(5-7-17)20-21-15;16-12-3-1-11(2-4-12)15-13(9-20(19-15)7-8-21)14-5-6-17-10-18-14;16-11-3-1-10(2-4-11)15-14(12-6-8-18-9-19-12)13(5-7-17)20-21-15/h2*1-4,7,10-11,13,20H,5-6,8-9H2,(H,23,24);1-4,6,8-9H,5,7,17H2,(H,20,21);1-6,9-10,21H,7-8H2;1-4,6,8-9H,5,7,17H2,(H,20,21)
InChIKeyRIRGYBWLZPVHNS-UHFFFAOYSA-N
MW1547.03 g/mol
LogP14.31
Rot. Bonds18

About 4-[3-(4-chlorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]pyrimidine;2-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]ethanamine;2-[3-(4-chlorophenyl)-4-pyrimidin-4-ylpyrazol-1-yl]ethanol;4-[3-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]pyrimidine;2-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]ethanamine

4-[3-(4-chlorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]pyrimidine;2-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]ethanamine;2-[3-(4-chlorophenyl)-4-pyrimidin-4-ylpyrazol-1-yl]ethanol;4-[3-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]pyrimidine;2-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]ethanamine (PubChem CID 160637111) has the molecular formula C81H77Cl3F2N24O and a molecular weight of 1547.03 g/mol. Its IUPAC name is 4-[3-(4-chlorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]pyrimidine;2-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]ethanamine;2-[3-(4-chlorophenyl)-4-pyrimidin-4-ylpyrazol-1-yl]ethanol;4-[3-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]pyrimidine;2-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]ethanamine.

Molecular Properties

Compound Name4-[3-(4-chlorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]pyrimidine;2-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]ethanamine;2-[3-(4-chlorophenyl)-4-pyrimidin-4-ylpyrazol-1-yl]ethanol;4-[3-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]pyrimidine;2-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]ethanamine
PubChem CID160637111
Molecular FormulaC81H77Cl3F2N24O
Molecular Weight1547.03 g/mol
Exact Mass1544.57
IUPAC Name4-[3-(4-chlorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]pyrimidine;2-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]ethanamine;2-[3-(4-chlorophenyl)-4-pyrimidin-4-ylpyrazol-1-yl]ethanol;4-[3-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]pyrimidine;2-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]ethanamine
SMILESClc1ccc(-c2n[nH]c(C3CCNCC3)c2-c2ccncn2)cc1.Fc1ccc(-c2n[nH]c(C3CCNCC3)c2-c2ccncn2)cc1.NCCc1[nH]nc(-c2ccc(Cl)cc2)c1-c1ccncn1.NCCc1[nH]nc(-c2ccc(F)cc2)c1-c1ccncn1.OCCn1cc(-c2ccncn2)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C18H18ClN5.C18H18FN5.C15H14ClN5.C15H13ClN4O.C15H14FN5/c2*19-14-3-1-12(2-4-14)17-16(15-7-10-21-11-22-15)18(24-23-17)13-5-8-20-9-6-13;16-11-3-1-10(2-4-11)15-14(12-6-8-18-9-19-12)13(5-7-17)20-21-15;16-12-3-1-11(2-4-12)15-13(9-20(19-15)7-8-21)14-5-6-17-10-18-14;16-11-3-1-10(2-4-11)15-14(12-6-8-18-9-19-12)13(5-7-17)20-21-15/h2*1-4,7,10-11,13,20H,5-6,8-9H2,(H,23,24);1-4,6,8-9H,5,7,17H2,(H,20,21);1-6,9-10,21H,7-8H2;1-4,6,8-9H,5,7,17H2,(H,20,21)
InChIKeyRIRGYBWLZPVHNS-UHFFFAOYSA-N
XLogP14.31
TPSA357.77 Ų
H-Bond Donors9
H-Bond Acceptors21
Rotatable Bonds18
Heavy Atoms111
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001547.03
LogP ≤ 514.31
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1021

Analyze 4-[3-(4-chlorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]pyrimidine;2-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]ethanamine;2-[3-(4-chlorophenyl)-4-pyrimidin-4-ylpyrazol-1-yl]ethanol;4-[3-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]pyrimidine;2-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[3-(3-chlorophenyl)-4-[2-[2-(dimethylamino)ethoxy]pyrimidin-4-yl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(3-chlorophenyl)-4-[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[4-[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;2-hydroxy-1-[4-[4-pyrimidin-4-yl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 157491418
N-[6-(2-chlorophenyl)-3,4-dimethyl-2-pyridinyl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-(2-chlorophenyl)-4,5-dimethyl-2-pyridinyl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-(2-chlorophenyl)-4-methyl-2-pyridinyl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-(2-chlorophenyl)-4-(trifluoromethyl)-2-pyridinyl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;N-(4,5-dimethyl-6-phenyl-2-pyridinyl)-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;molecular hydrogen
CID 158111940
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
N-[[5-(6-chloro-5-methyl-3-pyridinyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(5-chloro-3-pyridinyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[5-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrazol-4-yl]methyl]propan-1-amine;5-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]pyridine-3-carbonitrile;N-methyl-N-[[5-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 158847252
2-tert-butyl-6-methyl-4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine;4-cyclohexyl-2-methyl-6-propan-2-ylpyridine;4-(1,3-dimethylpyrazol-4-yl)-2-methyl-6-propan-2-ylpyridine;4-(1,5-dimethylpyrazol-4-yl)-2-methyl-6-propan-2-ylpyridine;2-methyl-4-(1-methylpyrazol-3-yl)-6-propan-2-ylpyridine;2-methyl-4-(6-methyl-3-pyridinyl)-6-propan-2-ylpyridine;2-methyl-4-(1-phenylpyrazol-4-yl)-6-propan-2-ylpyridine;2-methyl-6-propan-2-yl-4-(1H-pyrazol-4-yl)pyridine;2-[4-(2-methyl-6-propan-2-yl-4-pyridinyl)pyrazol-1-yl]ethanol;5-(2-methyl-6-propan-2-yl-4-pyridinyl)pyrimidine
CID 158880398
1-[4-[3-(4-chloro-2-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;6-[3-(4-chlorophenyl)-5-[1-(2-hydroxyacetyl)piperidin-4-yl]-1H-pyrazol-4-yl]-1H-pyrimidin-2-one;1-[4-[3-(3,4-dichlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(2,4-difluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(3,4-difluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-fluoro-2-methylphenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone
CID 159650306
6-[2-(2-chlorophenyl)pyrrolidin-1-yl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;6-[2-(4-chlorophenyl)pyrrolidin-1-yl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(2,4-difluorophenyl)pyrrolidin-1-yl]pyrimidine-2,4-diamine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-6-(2-phenylpiperidin-1-yl)pyrimidin-4-amine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidine-2,4-diamine
CID 159980404
1-[4-[4-(2-aminopyrimidin-4-yl)-3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-chlorophenyl)-4-[2-(methylamino)pyrimidin-4-yl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-chlorophenyl)-4-(2-methylsulfonylpyrimidin-4-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-chlorophenyl)-4-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-chlorophenyl)-4-[2-(propan-2-ylamino)pyrimidin-4-yl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;2-hydroxy-1-[4-[4-pyrimidin-4-yl-3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 160553182
1-[4-[3-(4-chloro-2-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;6-[3-(4-chlorophenyl)-5-[1-(2-hydroxyacetyl)piperidin-4-yl]-1H-pyrazol-4-yl]-1H-pyrimidin-2-one;1-[4-[3-(2,4-difluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(3,4-difluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-fluoro-2-methylphenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone
CID 160923544
4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]-N,N-bis(1H-pyrazol-4-ylmethyl)cyclohexan-1-amine;4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]-N-ethylcyclohexan-1-amine;4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine;4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]-N-(1H-pyrazol-4-ylmethyl)-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoropyrimidin-2-yl]methyl]cyclohexan-1-amine;4-[[4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]-5-fluoropyrimidin-2-yl]methyl]-N-(1H-pyrazol-4-ylmethyl)cyclohexan-1-amine
CID 160928133
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-(3-chlorophenyl)-4-[2-[2-(dimethylamino)ethoxy]pyrimidin-4-yl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(3-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
CID 161842970
[4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methylpiperazin-2-yl]methanamine;[4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methylpiperazin-2-yl]methanol;[4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazin-2-yl]methanamine;[4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazin-2-yl]methanol;methane
CID 157140656

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-chlorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]pyrimidine;2-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]ethanamine;2-[3-(4-chlorophenyl)-4-pyrimidin-4-ylpyrazol-1-yl]ethanol;4-[3-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]pyrimidine;2-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]ethanamine?
The IUPAC name of 4-[3-(4-chlorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]pyrimidine;2-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]ethanamine;2-[3-(4-chlorophenyl)-4-pyrimidin-4-ylpyrazol-1-yl]ethanol;4-[3-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]pyrimidine;2-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]ethanamine (CID 160637111) is 4-[3-(4-chlorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]pyrimidine;2-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]ethanamine;2-[3-(4-chlorophenyl)-4-pyrimidin-4-ylpyrazol-1-yl]ethanol;4-[3-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]pyrimidine;2-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]ethanamine.
What is the SMILES notation for 4-[3-(4-chlorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]pyrimidine;2-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]ethanamine;2-[3-(4-chlorophenyl)-4-pyrimidin-4-ylpyrazol-1-yl]ethanol;4-[3-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]pyrimidine;2-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]ethanamine?
The canonical SMILES for 4-[3-(4-chlorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]pyrimidine;2-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]ethanamine;2-[3-(4-chlorophenyl)-4-pyrimidin-4-ylpyrazol-1-yl]ethanol;4-[3-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]pyrimidine;2-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]ethanamine is Clc1ccc(-c2n[nH]c(C3CCNCC3)c2-c2ccncn2)cc1.Fc1ccc(-c2n[nH]c(C3CCNCC3)c2-c2ccncn2)cc1.NCCc1[nH]nc(-c2ccc(Cl)cc2)c1-c1ccncn1.NCCc1[nH]nc(-c2ccc(F)cc2)c1-c1ccncn1.OCCn1cc(-c2ccncn2)c(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 4-[3-(4-chlorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]pyrimidine;2-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]ethanamine;2-[3-(4-chlorophenyl)-4-pyrimidin-4-ylpyrazol-1-yl]ethanol;4-[3-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]pyrimidine;2-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]ethanamine?
The InChIKey is RIRGYBWLZPVHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5.C18H18FN5.C15H14ClN5.C15H13ClN4O.C15H14FN5/c2*19-14-3-1-12(2-4-14)17-16(15-7-10-21-11-22-15)18(24-23-17)13-5-8-20-9-6-13;16-11-3-1-10(2-4-11)15-14(12-6-8-18-9-19-12)13(5-7-17)20-21-15;16-12-3-1-11(2-4-12)15-13(9-20(19-15)7-8-21)14-5-6-17-10-18-14;16-11-3-1-10(2-4-11)15-14(12-6-8-18-9-19-12)13(5-7-17)20-21-15/h2*1-4,7,10-11,13,20H,5-6,8-9H2,(H,23,24);1-4,6,8-9H,5,7,17H2,(H,20,21);1-6,9-10,21H,7-8H2;1-4,6,8-9H,5,7,17H2,(H,20,21).
What are the key properties of 4-[3-(4-chlorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]pyrimidine;2-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]ethanamine;2-[3-(4-chlorophenyl)-4-pyrimidin-4-ylpyrazol-1-yl]ethanol;4-[3-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]pyrimidine;2-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]ethanamine?
4-[3-(4-chlorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]pyrimidine;2-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]ethanamine;2-[3-(4-chlorophenyl)-4-pyrimidin-4-ylpyrazol-1-yl]ethanol;4-[3-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]pyrimidine;2-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]ethanamine has a molecular weight of 1547.03 g/mol, XLogP of 14.31, 18 rotatable bonds, 9 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-chlorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]pyrimidine;2-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]ethanamine;2-[3-(4-chlorophenyl)-4-pyrimidin-4-ylpyrazol-1-yl]ethanol;4-[3-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]pyrimidine;2-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]ethanamine is sourced from PubChem (CID 160637111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).