(2-chlorophenyl)-(5-phenyl-1H-pyrazol-4-yl)methanone

C16H11ClN2O — CID 15869682

IUPAC(2-chlorophenyl)-(5-phenyl-1H-pyrazol-4-yl)methanone
SMILESO=C(c1ccccc1Cl)c1cn[nH]c1-c1ccccc1
InChIInChI=1S/C16H11ClN2O/c17-14-9-5-4-8-12(14)16(20)13-10-18-19-15(13)11-6-2-1-3-7-11/h1-10H,(H,18,19)
InChIKeyUXTIBLZTPMMZRY-UHFFFAOYSA-N
MW282.73 g/mol
LogP3.96
Rot. Bonds3

About (2-chlorophenyl)-(5-phenyl-1H-pyrazol-4-yl)methanone

(2-chlorophenyl)-(5-phenyl-1H-pyrazol-4-yl)methanone (PubChem CID 15869682) has the molecular formula C16H11ClN2O and a molecular weight of 282.73 g/mol. Its IUPAC name is (2-chlorophenyl)-(5-phenyl-1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-(5-phenyl-1H-pyrazol-4-yl)methanone
PubChem CID15869682
Molecular FormulaC16H11ClN2O
Molecular Weight282.73 g/mol
Exact Mass282.06
IUPAC Name(2-chlorophenyl)-(5-phenyl-1H-pyrazol-4-yl)methanone
SMILESO=C(c1ccccc1Cl)c1cn[nH]c1-c1ccccc1
InChIInChI=1S/C16H11ClN2O/c17-14-9-5-4-8-12(14)16(20)13-10-18-19-15(13)11-6-2-1-3-7-11/h1-10H,(H,18,19)
InChIKeyUXTIBLZTPMMZRY-UHFFFAOYSA-N
XLogP3.96
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2-chlorophenyl)-(5-phenyl-1H-pyrazol-4-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

5-(4-phenylphenyl)-1H-pyrazole-4-carboxylic acid
CID 28948764
(2,3-dichlorophenyl)-[4-(5-phenyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]methanone
CID 55869721
[5-(3-chloro-4-methoxyphenyl)-1H-pyrazol-4-yl]-phenylmethanone
CID 15451931
(2-carbamoylphenyl)methyl 5-phenyl-1H-pyrazole-4-carboxylate
CID 75500873
(2-chlorophenyl)-(4-fluoro-1H-pyrazol-5-yl)methanone
CID 135008562
[5-(2-hydroxyphenyl)-1H-pyrazol-4-yl]-(2-methylphenyl)methanone
CID 886169
5-methylbenzene-1,3-dicarboxylic acid;5-phenyl-1H-pyrazole-4-carboxylic acid
CID 160620649
3-[(5-phenyl-1H-pyrazole-4-carbonyl)amino]propanoic acid
CID 43354670
(4-methylpiperazin-1-yl)-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 60712084
1-(2-chlorophenyl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine
CID 60662974
(4-benzhydrylpiperazin-1-yl)-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 71824945
N-(4-aminocyclohexyl)-5-phenyl-1H-pyrazole-4-carboxamide;hydrochloride
CID 119475103

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-(5-phenyl-1H-pyrazol-4-yl)methanone?
The IUPAC name of (2-chlorophenyl)-(5-phenyl-1H-pyrazol-4-yl)methanone (CID 15869682) is (2-chlorophenyl)-(5-phenyl-1H-pyrazol-4-yl)methanone.
What is the SMILES notation for (2-chlorophenyl)-(5-phenyl-1H-pyrazol-4-yl)methanone?
The canonical SMILES for (2-chlorophenyl)-(5-phenyl-1H-pyrazol-4-yl)methanone is O=C(c1ccccc1Cl)c1cn[nH]c1-c1ccccc1.
What is the InChIKey of (2-chlorophenyl)-(5-phenyl-1H-pyrazol-4-yl)methanone?
The InChIKey is UXTIBLZTPMMZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O/c17-14-9-5-4-8-12(14)16(20)13-10-18-19-15(13)11-6-2-1-3-7-11/h1-10H,(H,18,19).
What are the key properties of (2-chlorophenyl)-(5-phenyl-1H-pyrazol-4-yl)methanone?
(2-chlorophenyl)-(5-phenyl-1H-pyrazol-4-yl)methanone has a molecular weight of 282.73 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-(5-phenyl-1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 15869682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).