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

C15H11ClN2O — CID 1486578

IUPAC4-(2-chlorophenyl)-2-phenyl-1H-pyrazol-3-one
SMILESO=c1c(-c2ccccc2Cl)c[nH]n1-c1ccccc1
InChIInChI=1S/C15H11ClN2O/c16-14-9-5-4-8-12(14)13-10-17-18(15(13)19)11-6-2-1-3-7-11/h1-10,17H
InChIKeyMZUXGPWNSZFCJQ-UHFFFAOYSA-N
MW270.72 g/mol
LogP3.49
Rot. Bonds2

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

4-(2-chlorophenyl)-2-phenyl-1H-pyrazol-3-one (PubChem CID 1486578) has the molecular formula C15H11ClN2O and a molecular weight of 270.72 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-2-phenyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-(2-chlorophenyl)-2-phenyl-1H-pyrazol-3-one
PubChem CID1486578
Molecular FormulaC15H11ClN2O
Molecular Weight270.72 g/mol
Exact Mass270.06
IUPAC Name4-(2-chlorophenyl)-2-phenyl-1H-pyrazol-3-one
SMILESO=c1c(-c2ccccc2Cl)c[nH]n1-c1ccccc1
InChIInChI=1S/C15H11ClN2O/c16-14-9-5-4-8-12(14)13-10-17-18(15(13)19)11-6-2-1-3-7-11/h1-10,17H
InChIKeyMZUXGPWNSZFCJQ-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 4-(2-chlorophenyl)-2-phenyl-1H-pyrazol-3-one?
The IUPAC name of 4-(2-chlorophenyl)-2-phenyl-1H-pyrazol-3-one (CID 1486578) is 4-(2-chlorophenyl)-2-phenyl-1H-pyrazol-3-one.
What is the SMILES notation for 4-(2-chlorophenyl)-2-phenyl-1H-pyrazol-3-one?
The canonical SMILES for 4-(2-chlorophenyl)-2-phenyl-1H-pyrazol-3-one is O=c1c(-c2ccccc2Cl)c[nH]n1-c1ccccc1.
What is the InChIKey of 4-(2-chlorophenyl)-2-phenyl-1H-pyrazol-3-one?
The InChIKey is MZUXGPWNSZFCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O/c16-14-9-5-4-8-12(14)13-10-17-18(15(13)19)11-6-2-1-3-7-11/h1-10,17H.
What are the key properties of 4-(2-chlorophenyl)-2-phenyl-1H-pyrazol-3-one?
4-(2-chlorophenyl)-2-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 4-(2-chlorophenyl)-2-phenyl-1H-pyrazol-3-one is sourced from PubChem (CID 1486578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).