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

C17H15ClN2O — CID 104844908

IUPAC2-[(2-chlorophenyl)methyl]-4-methyl-5-phenyl-1H-pyrazol-3-one
SMILESCc1c(-c2ccccc2)[nH]n(Cc2ccccc2Cl)c1=O
InChIInChI=1S/C17H15ClN2O/c1-12-16(13-7-3-2-4-8-13)19-20(17(12)21)11-14-9-5-6-10-15(14)18/h2-10,19H,11H2,1H3
InChIKeyFODGBDJQLZBTLP-UHFFFAOYSA-N
MW298.77 g/mol
LogP3.85
Rot. Bonds3

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

2-[(2-chlorophenyl)methyl]-4-methyl-5-phenyl-1H-pyrazol-3-one (PubChem CID 104844908) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-4-methyl-5-phenyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-4-methyl-5-phenyl-1H-pyrazol-3-one
PubChem CID104844908
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name2-[(2-chlorophenyl)methyl]-4-methyl-5-phenyl-1H-pyrazol-3-one
SMILESCc1c(-c2ccccc2)[nH]n(Cc2ccccc2Cl)c1=O
InChIInChI=1S/C17H15ClN2O/c1-12-16(13-7-3-2-4-8-13)19-20(17(12)21)11-14-9-5-6-10-15(14)18/h2-10,19H,11H2,1H3
InChIKeyFODGBDJQLZBTLP-UHFFFAOYSA-N
XLogP3.85
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 ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-2-[(4-methylphenyl)methyl]-5-phenyl-1H-pyrazol-3-one
CID 104844877
2-[(2-chloro-4-fluorophenyl)methyl]-4,5-diphenyl-1H-pyrazol-3-one
CID 22769165
2,4-dimethyl-5-phenyl-1H-pyrazol-3-one
CID 10899399
2-(2,4-dichlorophenyl)-4-methyl-5-phenyl-1H-pyrazol-3-one
CID 104844863
6-[(2-chlorophenyl)methyl]benzo[d][2]benzazepine-5,7-dione
CID 17129349
2-[(5-amino-2-chlorophenyl)methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione
CID 55168526
1-[(2-chlorophenyl)methyl]-3-iodopyridin-2-one
CID 79785092
4-[(2-chlorophenyl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
CID 134909987
2-[(2-chlorophenyl)methyl]-5-methyl-4-(4-methylpiperidine-1-carboximidoyl)-1H-pyrazol-3-one
CID 136534142
2-[2-(2-chlorophenoxy)ethyl]-4,5-diphenyl-1H-pyrazol-3-one
CID 22769184
3-[(2-chlorophenyl)methyl]-1-[(4-methylphenyl)methyl]quinazoline-2,4-dione
CID 15988071
3-[(2-chlorophenyl)methyl]-4-methyl-1H-benzimidazol-2-one
CID 117209046

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-4-methyl-5-phenyl-1H-pyrazol-3-one?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-4-methyl-5-phenyl-1H-pyrazol-3-one (CID 104844908) is 2-[(2-chlorophenyl)methyl]-4-methyl-5-phenyl-1H-pyrazol-3-one.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-4-methyl-5-phenyl-1H-pyrazol-3-one?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-4-methyl-5-phenyl-1H-pyrazol-3-one is Cc1c(-c2ccccc2)[nH]n(Cc2ccccc2Cl)c1=O.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-4-methyl-5-phenyl-1H-pyrazol-3-one?
The InChIKey is FODGBDJQLZBTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c1-12-16(13-7-3-2-4-8-13)19-20(17(12)21)11-14-9-5-6-10-15(14)18/h2-10,19H,11H2,1H3.
What are the key properties of 2-[(2-chlorophenyl)methyl]-4-methyl-5-phenyl-1H-pyrazol-3-one?
2-[(2-chlorophenyl)methyl]-4-methyl-5-phenyl-1H-pyrazol-3-one has a molecular weight of 298.77 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-4-methyl-5-phenyl-1H-pyrazol-3-one is sourced from PubChem (CID 104844908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).