[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-phenylmethanone

C22H15ClN2O — CID 14913963

IUPAC[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C22H15ClN2O/c23-18-13-11-16(12-14-18)21-20(22(26)17-7-3-1-4-8-17)15-25(24-21)19-9-5-2-6-10-19/h1-15H
InChIKeyYBFBHYXKRKKUHM-UHFFFAOYSA-N
MW358.83 g/mol
LogP5.42
Rot. Bonds4

About [3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-phenylmethanone

[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-phenylmethanone (PubChem CID 14913963) has the molecular formula C22H15ClN2O and a molecular weight of 358.83 g/mol. Its IUPAC name is [3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-phenylmethanone
PubChem CID14913963
Molecular FormulaC22H15ClN2O
Molecular Weight358.83 g/mol
Exact Mass358.09
IUPAC Name[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C22H15ClN2O/c23-18-13-11-16(12-14-18)21-20(22(26)17-7-3-1-4-8-17)15-25(24-21)19-9-5-2-6-10-19/h1-15H
InChIKeyYBFBHYXKRKKUHM-UHFFFAOYSA-N
XLogP5.42
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.83
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-phenylmethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-phenylmethanone?
The IUPAC name of [3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-phenylmethanone (CID 14913963) is [3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-phenylmethanone.
What is the SMILES notation for [3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-phenylmethanone?
The canonical SMILES for [3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-phenylmethanone is O=C(c1ccccc1)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1.
What is the InChIKey of [3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-phenylmethanone?
The InChIKey is YBFBHYXKRKKUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN2O/c23-18-13-11-16(12-14-18)21-20(22(26)17-7-3-1-4-8-17)15-25(24-21)19-9-5-2-6-10-19/h1-15H.
What are the key properties of [3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-phenylmethanone?
[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-phenylmethanone has a molecular weight of 358.83 g/mol, XLogP of 5.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-phenylmethanone is sourced from PubChem (CID 14913963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).