2-(3,4-diphenylpyrazol-1-yl)cyclohexan-1-one

C21H20N2O — CID 166438377

IUPAC2-(3,4-diphenylpyrazol-1-yl)cyclohexan-1-one
SMILESO=C1CCCCC1n1cc(-c2ccccc2)c(-c2ccccc2)n1
InChIInChI=1S/C21H20N2O/c24-20-14-8-7-13-19(20)23-15-18(16-9-3-1-4-10-16)21(22-23)17-11-5-2-6-12-17/h1-6,9-12,15,19H,7-8,13-14H2
InChIKeyOUBACGNQGDLSMB-UHFFFAOYSA-N
MW316.40 g/mol
LogP4.90
Rot. Bonds3

About 2-(3,4-diphenylpyrazol-1-yl)cyclohexan-1-one

2-(3,4-diphenylpyrazol-1-yl)cyclohexan-1-one (PubChem CID 166438377) has the molecular formula C21H20N2O and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-(3,4-diphenylpyrazol-1-yl)cyclohexan-1-one.

Molecular Properties

Compound Name2-(3,4-diphenylpyrazol-1-yl)cyclohexan-1-one
PubChem CID166438377
Molecular FormulaC21H20N2O
Molecular Weight316.40 g/mol
Exact Mass316.16
IUPAC Name2-(3,4-diphenylpyrazol-1-yl)cyclohexan-1-one
SMILESO=C1CCCCC1n1cc(-c2ccccc2)c(-c2ccccc2)n1
InChIInChI=1S/C21H20N2O/c24-20-14-8-7-13-19(20)23-15-18(16-9-3-1-4-10-16)21(22-23)17-11-5-2-6-12-17/h1-6,9-12,15,19H,7-8,13-14H2
InChIKeyOUBACGNQGDLSMB-UHFFFAOYSA-N
XLogP4.90
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(3,4-diphenylpyrazol-1-yl)cyclohexan-1-one 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

Fezolamine
CID 54567
1-Benzyl-4-(3-methyl-4-phenyl-pyrazol-1-yl)-piperidine
CID 21219157
2-(1,3-Diphenylpyrazol-4-yl)-1-piperidin-1-ylethanone
CID 4799063
1-Benzyl-4-(5-methyl-4-phenyl-pyrazol-1-yl)-piperidine
CID 9949442
8-(4,5-Diphenyl-pyrazol-1-yl)-octanoic acid
CID 10090048
9-(3,4-Diphenyl-pyrazol-1-yl)-nonanoic acid
CID 10090958
9-(4,5-Diphenyl-pyrazol-1-yl)-nonanoic acid
CID 10452166
N-hydroxy-5-[1-[(3-phenylphenyl)methyl]pyrazol-3-yl]pentanamide
CID 72195322
N-hydroxy-7-[1-[(4-phenylphenyl)methyl]pyrazol-3-yl]heptanamide
CID 72195459
N-hydroxy-6-[1-[(4-phenylphenyl)methyl]pyrazol-3-yl]hexanamide
CID 72195460
N-hydroxy-5-[1-[(4-phenylphenyl)methyl]pyrazol-3-yl]pentanamide
CID 118714377
2-Phenyl-2-(5-phenyl-1-pyrazolyl)acetophenone
CID 319155

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-diphenylpyrazol-1-yl)cyclohexan-1-one?
The IUPAC name of 2-(3,4-diphenylpyrazol-1-yl)cyclohexan-1-one (CID 166438377) is 2-(3,4-diphenylpyrazol-1-yl)cyclohexan-1-one.
What is the SMILES notation for 2-(3,4-diphenylpyrazol-1-yl)cyclohexan-1-one?
The canonical SMILES for 2-(3,4-diphenylpyrazol-1-yl)cyclohexan-1-one is O=C1CCCCC1n1cc(-c2ccccc2)c(-c2ccccc2)n1.
What is the InChIKey of 2-(3,4-diphenylpyrazol-1-yl)cyclohexan-1-one?
The InChIKey is OUBACGNQGDLSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O/c24-20-14-8-7-13-19(20)23-15-18(16-9-3-1-4-10-16)21(22-23)17-11-5-2-6-12-17/h1-6,9-12,15,19H,7-8,13-14H2.
What are the key properties of 2-(3,4-diphenylpyrazol-1-yl)cyclohexan-1-one?
2-(3,4-diphenylpyrazol-1-yl)cyclohexan-1-one has a molecular weight of 316.40 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-diphenylpyrazol-1-yl)cyclohexan-1-one is sourced from PubChem (CID 166438377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).