[1-(4-chlorophenyl)-5-(4-piperidin-1-ylcyclohexyl)pyrazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone

C31H37ClN4O — CID 67974618

IUPAC[1-(4-chlorophenyl)-5-(4-piperidin-1-ylcyclohexyl)pyrazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone
SMILESO=C(c1cnn(-c2ccc(Cl)cc2)c1C1CCC(N2CCCCC2)CC1)N1CCC(c2ccccc2)C1
InChIInChI=1S/C31H37ClN4O/c32-26-11-15-28(16-12-26)36-30(24-9-13-27(14-10-24)34-18-5-2-6-19-34)29(21-33-36)31(37)35-20-17-25(22-35)23-7-3-1-4-8-23/h1,3-4,7-8,11-12,15-16,21,24-25,27H,2,5-6,9-10,13-14,17-20,22H2
InChIKeyMPHRYFOQXNQWQB-UHFFFAOYSA-N
MW517.12 g/mol
LogP6.67
Rot. Bonds5

About [1-(4-chlorophenyl)-5-(4-piperidin-1-ylcyclohexyl)pyrazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone

[1-(4-chlorophenyl)-5-(4-piperidin-1-ylcyclohexyl)pyrazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone (PubChem CID 67974618) has the molecular formula C31H37ClN4O and a molecular weight of 517.12 g/mol. Its IUPAC name is [1-(4-chlorophenyl)-5-(4-piperidin-1-ylcyclohexyl)pyrazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(4-chlorophenyl)-5-(4-piperidin-1-ylcyclohexyl)pyrazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone
PubChem CID67974618
Molecular FormulaC31H37ClN4O
Molecular Weight517.12 g/mol
Exact Mass516.27
IUPAC Name[1-(4-chlorophenyl)-5-(4-piperidin-1-ylcyclohexyl)pyrazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone
SMILESO=C(c1cnn(-c2ccc(Cl)cc2)c1C1CCC(N2CCCCC2)CC1)N1CCC(c2ccccc2)C1
InChIInChI=1S/C31H37ClN4O/c32-26-11-15-28(16-12-26)36-30(24-9-13-27(14-10-24)34-18-5-2-6-19-34)29(21-33-36)31(37)35-20-17-25(22-35)23-7-3-1-4-8-23/h1,3-4,7-8,11-12,15-16,21,24-25,27H,2,5-6,9-10,13-14,17-20,22H2
InChIKeyMPHRYFOQXNQWQB-UHFFFAOYSA-N
XLogP6.67
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.12
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [1-(4-chlorophenyl)-5-(4-piperidin-1-ylcyclohexyl)pyrazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone 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-[1-(4-chlorophenyl)-4-(3-phenylpyrrolidine-1-carbonyl)pyrazol-5-yl]piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 67976949
[1-(4-chlorophenyl)-5-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazol-4-yl]-[(3R)-3-phenylpyrrolidin-1-yl]methanone
CID 57406810
[4-[1-(4-chlorophenyl)-4-[(3R)-3-phenylpyrrolidine-1-carbonyl]pyrazol-5-yl]piperidin-1-yl]-[2-methyl-3-(trifluoromethyl)-3,4-dihydropyrazol-5-yl]methanone
CID 67989425
(5-cyclopropyl-1-phenylpyrazol-4-yl)-piperidin-1-ylmethanone
CID 39992588
[1-(4-chlorophenyl)-5-[1-[(4-methylsulfonylphenyl)methyl]piperidin-3-yl]pyrazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone
CID 77390600
tert-butyl 4-[1-(4-chlorophenyl)-4-[(3S)-3-(4-methylphenyl)pyrrolidine-1-carbonyl]pyrazol-5-yl]piperidine-1-carboxylate
CID 98283377
[1-(4-fluorophenyl)-5-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]pyrazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone
CID 76524758
2-[4-[[4-[1-(4-fluorophenyl)-4-[(3R)-3-phenylpyrrolidine-1-carbonyl]pyrazol-5-yl]piperidin-1-yl]methyl]phenoxy]acetic acid
CID 67989448
[1-(4-fluorophenyl)-5-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]pyrazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone
CID 67976069
(3R)-1-[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 124698115
[4-[[4-[1-(4-fluorophenyl)-4-[(3R)-3-phenylpyrrolidine-1-carbonyl]pyrazol-5-yl]piperidin-1-yl]methyl]phenyl]sulfamic acid
CID 57406999
5-methyl-1-[4-(3-phenylpyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxylic acid
CID 75383497

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)-5-(4-piperidin-1-ylcyclohexyl)pyrazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone?
The IUPAC name of [1-(4-chlorophenyl)-5-(4-piperidin-1-ylcyclohexyl)pyrazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone (CID 67974618) is [1-(4-chlorophenyl)-5-(4-piperidin-1-ylcyclohexyl)pyrazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [1-(4-chlorophenyl)-5-(4-piperidin-1-ylcyclohexyl)pyrazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone?
The canonical SMILES for [1-(4-chlorophenyl)-5-(4-piperidin-1-ylcyclohexyl)pyrazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone is O=C(c1cnn(-c2ccc(Cl)cc2)c1C1CCC(N2CCCCC2)CC1)N1CCC(c2ccccc2)C1.
What is the InChIKey of [1-(4-chlorophenyl)-5-(4-piperidin-1-ylcyclohexyl)pyrazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone?
The InChIKey is MPHRYFOQXNQWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37ClN4O/c32-26-11-15-28(16-12-26)36-30(24-9-13-27(14-10-24)34-18-5-2-6-19-34)29(21-33-36)31(37)35-20-17-25(22-35)23-7-3-1-4-8-23/h1,3-4,7-8,11-12,15-16,21,24-25,27H,2,5-6,9-10,13-14,17-20,22H2.
What are the key properties of [1-(4-chlorophenyl)-5-(4-piperidin-1-ylcyclohexyl)pyrazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone?
[1-(4-chlorophenyl)-5-(4-piperidin-1-ylcyclohexyl)pyrazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone has a molecular weight of 517.12 g/mol, XLogP of 6.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)-5-(4-piperidin-1-ylcyclohexyl)pyrazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 67974618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).