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

C15H11ClN2O — CID 70584936

IUPAC3-(3-chlorophenyl)-2-phenyl-1H-pyrazol-5-one
SMILESO=c1cc(-c2cccc(Cl)c2)n(-c2ccccc2)[nH]1
InChIInChI=1S/C15H11ClN2O/c16-12-6-4-5-11(9-12)14-10-15(19)17-18(14)13-7-2-1-3-8-13/h1-10H,(H,17,19)
InChIKeyYPXSXAQTSAGOHQ-UHFFFAOYSA-N
MW270.72 g/mol
LogP3.49
Rot. Bonds2

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

3-(3-chlorophenyl)-2-phenyl-1H-pyrazol-5-one (PubChem CID 70584936) has the molecular formula C15H11ClN2O and a molecular weight of 270.72 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-2-phenyl-1H-pyrazol-5-one.

Molecular Properties

Compound Name3-(3-chlorophenyl)-2-phenyl-1H-pyrazol-5-one
PubChem CID70584936
Molecular FormulaC15H11ClN2O
Molecular Weight270.72 g/mol
Exact Mass270.06
IUPAC Name3-(3-chlorophenyl)-2-phenyl-1H-pyrazol-5-one
SMILESO=c1cc(-c2cccc(Cl)c2)n(-c2ccccc2)[nH]1
InChIInChI=1S/C15H11ClN2O/c16-12-6-4-5-11(9-12)14-10-15(19)17-18(14)13-7-2-1-3-8-13/h1-10H,(H,17,19)
InChIKeyYPXSXAQTSAGOHQ-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 3-(3-chlorophenyl)-2-phenyl-1H-pyrazol-5-one?
The IUPAC name of 3-(3-chlorophenyl)-2-phenyl-1H-pyrazol-5-one (CID 70584936) is 3-(3-chlorophenyl)-2-phenyl-1H-pyrazol-5-one.
What is the SMILES notation for 3-(3-chlorophenyl)-2-phenyl-1H-pyrazol-5-one?
The canonical SMILES for 3-(3-chlorophenyl)-2-phenyl-1H-pyrazol-5-one is O=c1cc(-c2cccc(Cl)c2)n(-c2ccccc2)[nH]1.
What is the InChIKey of 3-(3-chlorophenyl)-2-phenyl-1H-pyrazol-5-one?
The InChIKey is YPXSXAQTSAGOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O/c16-12-6-4-5-11(9-12)14-10-15(19)17-18(14)13-7-2-1-3-8-13/h1-10H,(H,17,19).
What are the key properties of 3-(3-chlorophenyl)-2-phenyl-1H-pyrazol-5-one?
3-(3-chlorophenyl)-2-phenyl-1H-pyrazol-5-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 3-(3-chlorophenyl)-2-phenyl-1H-pyrazol-5-one is sourced from PubChem (CID 70584936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).