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

C15H11ClN2O — CID 57010345

IUPAC2-(3-chlorophenyl)-5-phenyl-1H-pyrazol-3-one
SMILESO=c1cc(-c2ccccc2)[nH]n1-c1cccc(Cl)c1
InChIInChI=1S/C15H11ClN2O/c16-12-7-4-8-13(9-12)18-15(19)10-14(17-18)11-5-2-1-3-6-11/h1-10,17H
InChIKeyCUBRUSJGAZEFKN-UHFFFAOYSA-N
MW270.72 g/mol
LogP3.49
Rot. Bonds2

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

2-(3-chlorophenyl)-5-phenyl-1H-pyrazol-3-one (PubChem CID 57010345) has the molecular formula C15H11ClN2O and a molecular weight of 270.72 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5-phenyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5-phenyl-1H-pyrazol-3-one
PubChem CID57010345
Molecular FormulaC15H11ClN2O
Molecular Weight270.72 g/mol
Exact Mass270.06
IUPAC Name2-(3-chlorophenyl)-5-phenyl-1H-pyrazol-3-one
SMILESO=c1cc(-c2ccccc2)[nH]n1-c1cccc(Cl)c1
InChIInChI=1S/C15H11ClN2O/c16-12-7-4-8-13(9-12)18-15(19)10-14(17-18)11-5-2-1-3-6-11/h1-10,17H
InChIKeyCUBRUSJGAZEFKN-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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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-5-phenyl-1H-pyrazol-3-one?
The IUPAC name of 2-(3-chlorophenyl)-5-phenyl-1H-pyrazol-3-one (CID 57010345) is 2-(3-chlorophenyl)-5-phenyl-1H-pyrazol-3-one.
What is the SMILES notation for 2-(3-chlorophenyl)-5-phenyl-1H-pyrazol-3-one?
The canonical SMILES for 2-(3-chlorophenyl)-5-phenyl-1H-pyrazol-3-one is O=c1cc(-c2ccccc2)[nH]n1-c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-5-phenyl-1H-pyrazol-3-one?
The InChIKey is CUBRUSJGAZEFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O/c16-12-7-4-8-13(9-12)18-15(19)10-14(17-18)11-5-2-1-3-6-11/h1-10,17H.
What are the key properties of 2-(3-chlorophenyl)-5-phenyl-1H-pyrazol-3-one?
2-(3-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-(3-chlorophenyl)-5-phenyl-1H-pyrazol-3-one is sourced from PubChem (CID 57010345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).