4-[(2-chlorophenyl)methyl]-2,5-diphenyl-4H-pyrazol-3-one

C22H17ClN2O — CID 155679055

IUPAC4-[(2-chlorophenyl)methyl]-2,5-diphenyl-4H-pyrazol-3-one
SMILESO=C1C(Cc2ccccc2Cl)C(c2ccccc2)=NN1c1ccccc1
InChIInChI=1S/C22H17ClN2O/c23-20-14-8-7-11-17(20)15-19-21(16-9-3-1-4-10-16)24-25(22(19)26)18-12-5-2-6-13-18/h1-14,19H,15H2
InChIKeyVAPDNYAOSOSHEY-UHFFFAOYSA-N
MW360.84 g/mol
LogP4.95
Rot. Bonds4

About 4-[(2-chlorophenyl)methyl]-2,5-diphenyl-4H-pyrazol-3-one

4-[(2-chlorophenyl)methyl]-2,5-diphenyl-4H-pyrazol-3-one (PubChem CID 155679055) has the molecular formula C22H17ClN2O and a molecular weight of 360.84 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methyl]-2,5-diphenyl-4H-pyrazol-3-one.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methyl]-2,5-diphenyl-4H-pyrazol-3-one
PubChem CID155679055
Molecular FormulaC22H17ClN2O
Molecular Weight360.84 g/mol
Exact Mass360.10
IUPAC Name4-[(2-chlorophenyl)methyl]-2,5-diphenyl-4H-pyrazol-3-one
SMILESO=C1C(Cc2ccccc2Cl)C(c2ccccc2)=NN1c1ccccc1
InChIInChI=1S/C22H17ClN2O/c23-20-14-8-7-11-17(20)15-19-21(16-9-3-1-4-10-16)24-25(22(19)26)18-12-5-2-6-13-18/h1-14,19H,15H2
InChIKeyVAPDNYAOSOSHEY-UHFFFAOYSA-N
XLogP4.95
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methyl]-2,5-diphenyl-4H-pyrazol-3-one?
The IUPAC name of 4-[(2-chlorophenyl)methyl]-2,5-diphenyl-4H-pyrazol-3-one (CID 155679055) is 4-[(2-chlorophenyl)methyl]-2,5-diphenyl-4H-pyrazol-3-one.
What is the SMILES notation for 4-[(2-chlorophenyl)methyl]-2,5-diphenyl-4H-pyrazol-3-one?
The canonical SMILES for 4-[(2-chlorophenyl)methyl]-2,5-diphenyl-4H-pyrazol-3-one is O=C1C(Cc2ccccc2Cl)C(c2ccccc2)=NN1c1ccccc1.
What is the InChIKey of 4-[(2-chlorophenyl)methyl]-2,5-diphenyl-4H-pyrazol-3-one?
The InChIKey is VAPDNYAOSOSHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O/c23-20-14-8-7-11-17(20)15-19-21(16-9-3-1-4-10-16)24-25(22(19)26)18-12-5-2-6-13-18/h1-14,19H,15H2.
What are the key properties of 4-[(2-chlorophenyl)methyl]-2,5-diphenyl-4H-pyrazol-3-one?
4-[(2-chlorophenyl)methyl]-2,5-diphenyl-4H-pyrazol-3-one has a molecular weight of 360.84 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methyl]-2,5-diphenyl-4H-pyrazol-3-one is sourced from PubChem (CID 155679055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).