4-[(2-chlorophenyl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one

C17H15ClN2O — CID 134909987

IUPAC4-[(2-chlorophenyl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
SMILESCc1[nH]n(-c2ccccc2)c(=O)c1Cc1ccccc1Cl
InChIInChI=1S/C17H15ClN2O/c1-12-15(11-13-7-5-6-10-16(13)18)17(21)20(19-12)14-8-3-2-4-9-14/h2-10,19H,11H2,1H3
InChIKeyOGKNMUDSSNYFIX-UHFFFAOYSA-N
MW298.77 g/mol
LogP3.72
Rot. Bonds3

About 4-[(2-chlorophenyl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one

4-[(2-chlorophenyl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one (PubChem CID 134909987) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
PubChem CID134909987
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name4-[(2-chlorophenyl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
SMILESCc1[nH]n(-c2ccccc2)c(=O)c1Cc1ccccc1Cl
InChIInChI=1S/C17H15ClN2O/c1-12-15(11-13-7-5-6-10-16(13)18)17(21)20(19-12)14-8-3-2-4-9-14/h2-10,19H,11H2,1H3
InChIKeyOGKNMUDSSNYFIX-UHFFFAOYSA-N
XLogP3.72
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[(2-chlorophenyl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-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

4-benzyl-5-methyl-2-(4-methylphenyl)-1H-pyrazol-3-one
CID 69343421
5-methyl-2-phenyl-4-(2-sulfanylethyl)-1H-pyrazol-3-one
CID 91083231
N-hydroxy-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]benzamide
CID 177374356
4-[(1R)-1-(2-chlorophenyl)-2-nitroethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
CID 992969
3-[(2-chlorophenyl)methyl]-2-methyl-1H-pyridin-4-one
CID 71429034
4-(3-aminopropyl)-2-(2-chlorophenyl)-5-methyl-1H-pyrazol-3-one
CID 117123339
6-[(2-chlorophenyl)methyl]-2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 71695537
5-methyl-4-[1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)ethyl]-2-phenyl-1H-pyrazol-3-one
CID 147475036
4-[(2-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazole
CID 121012476
4-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
CID 50886074
6-chloro-2-phenyl-1H-pyridazine-3,4-dione
CID 779542
4-[C-(4-chlorophenyl)-N-prop-2-ynylcarbonimidoyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
CID 135541402

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one?
The IUPAC name of 4-[(2-chlorophenyl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one (CID 134909987) is 4-[(2-chlorophenyl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one.
What is the SMILES notation for 4-[(2-chlorophenyl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one?
The canonical SMILES for 4-[(2-chlorophenyl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one is Cc1[nH]n(-c2ccccc2)c(=O)c1Cc1ccccc1Cl.
What is the InChIKey of 4-[(2-chlorophenyl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one?
The InChIKey is OGKNMUDSSNYFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c1-12-15(11-13-7-5-6-10-16(13)18)17(21)20(19-12)14-8-3-2-4-9-14/h2-10,19H,11H2,1H3.
What are the key properties of 4-[(2-chlorophenyl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one?
4-[(2-chlorophenyl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one has a molecular weight of 298.77 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one is sourced from PubChem (CID 134909987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).