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

C15H11ClN2O — CID 11616007

IUPAC2-(4-chlorophenyl)-5-phenyl-1H-pyrazol-3-one
SMILESO=c1cc(-c2ccccc2)[nH]n1-c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClN2O/c16-12-6-8-13(9-7-12)18-15(19)10-14(17-18)11-4-2-1-3-5-11/h1-10,17H
InChIKeyMUGSUPGCCJLRKM-UHFFFAOYSA-N
MW270.72 g/mol
LogP3.49
Rot. Bonds2

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

2-(4-chlorophenyl)-5-phenyl-1H-pyrazol-3-one (PubChem CID 11616007) has the molecular formula C15H11ClN2O and a molecular weight of 270.72 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-phenyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-phenyl-1H-pyrazol-3-one
PubChem CID11616007
Molecular FormulaC15H11ClN2O
Molecular Weight270.72 g/mol
Exact Mass270.06
IUPAC Name2-(4-chlorophenyl)-5-phenyl-1H-pyrazol-3-one
SMILESO=c1cc(-c2ccccc2)[nH]n1-c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClN2O/c16-12-6-8-13(9-7-12)18-15(19)10-14(17-18)11-4-2-1-3-5-11/h1-10,17H
InChIKeyMUGSUPGCCJLRKM-UHFFFAOYSA-N
XLogP3.49
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-Diphenyl-1H-pyrazol-5-OL
CID 245736
N1-phenyl-3-(2-chlorophenyl)acrylamide
CID 737170
4-(3-chlorophenyl)-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
CID 2766673
(2E)-N-(3-chlorophenyl)-3-phenylprop-2-enamide
CID 677915
N-(2-Chlorophenyl)cinnamamide
CID 765318
2-Propenamide, N-(4-chlorophenyl)-3-phenyl-
CID 766168
2-(3-chlorophenyl)-4-(4-chlorophenyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one
CID 1486555
4-(4-chlorophenyl)-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
CID 2766667
Pyrazole-4,5(1H)-dione, 3-phenyl-, 4-(4-chlorophenylhydrazone)
CID 626873
5-[(N-benzyl-3,5-dichloroanilino)methyl]-1,2-dihydropyrazol-3-one
CID 71601249
2-Benzyl-5-(((3,5-dichlorophenyl)(methyl)amino)methyl)-1H-pyrazol-3(2H)-one
CID 71601388
(4E)-4-[(4-chlorophenyl)methylidene]-1-(3,4-dichlorophenyl)pyrazolidine-3,5-dione
CID 1021429

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-phenyl-1H-pyrazol-3-one?
The IUPAC name of 2-(4-chlorophenyl)-5-phenyl-1H-pyrazol-3-one (CID 11616007) is 2-(4-chlorophenyl)-5-phenyl-1H-pyrazol-3-one.
What is the SMILES notation for 2-(4-chlorophenyl)-5-phenyl-1H-pyrazol-3-one?
The canonical SMILES for 2-(4-chlorophenyl)-5-phenyl-1H-pyrazol-3-one is O=c1cc(-c2ccccc2)[nH]n1-c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-5-phenyl-1H-pyrazol-3-one?
The InChIKey is MUGSUPGCCJLRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O/c16-12-6-8-13(9-7-12)18-15(19)10-14(17-18)11-4-2-1-3-5-11/h1-10,17H.
What are the key properties of 2-(4-chlorophenyl)-5-phenyl-1H-pyrazol-3-one?
2-(4-chlorophenyl)-5-phenyl-1H-pyrazol-3-one has a molecular weight of 270.72 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-phenyl-1H-pyrazol-3-one is sourced from PubChem (CID 11616007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).