4-benzyl-2,5-diphenyl-4H-pyrazol-3-one

C22H18N2O — CID 15263292

IUPAC4-benzyl-2,5-diphenyl-4H-pyrazol-3-one
SMILESO=C1C(Cc2ccccc2)C(c2ccccc2)=NN1c1ccccc1
InChIInChI=1S/C22H18N2O/c25-22-20(16-17-10-4-1-5-11-17)21(18-12-6-2-7-13-18)23-24(22)19-14-8-3-9-15-19/h1-15,20H,16H2
InChIKeyPJUKCVCMCFNHDI-UHFFFAOYSA-N
MW326.40 g/mol
LogP4.30
Rot. Bonds4

About 4-benzyl-2,5-diphenyl-4H-pyrazol-3-one

4-benzyl-2,5-diphenyl-4H-pyrazol-3-one (PubChem CID 15263292) has the molecular formula C22H18N2O and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-benzyl-2,5-diphenyl-4H-pyrazol-3-one.

Molecular Properties

Compound Name4-benzyl-2,5-diphenyl-4H-pyrazol-3-one
PubChem CID15263292
Molecular FormulaC22H18N2O
Molecular Weight326.40 g/mol
Exact Mass326.14
IUPAC Name4-benzyl-2,5-diphenyl-4H-pyrazol-3-one
SMILESO=C1C(Cc2ccccc2)C(c2ccccc2)=NN1c1ccccc1
InChIInChI=1S/C22H18N2O/c25-22-20(16-17-10-4-1-5-11-17)21(18-12-6-2-7-13-18)23-24(22)19-14-8-3-9-15-19/h1-15,20H,16H2
InChIKeyPJUKCVCMCFNHDI-UHFFFAOYSA-N
XLogP4.30
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2,5-diphenyl-4H-pyrazol-3-one?
The IUPAC name of 4-benzyl-2,5-diphenyl-4H-pyrazol-3-one (CID 15263292) is 4-benzyl-2,5-diphenyl-4H-pyrazol-3-one.
What is the SMILES notation for 4-benzyl-2,5-diphenyl-4H-pyrazol-3-one?
The canonical SMILES for 4-benzyl-2,5-diphenyl-4H-pyrazol-3-one is O=C1C(Cc2ccccc2)C(c2ccccc2)=NN1c1ccccc1.
What is the InChIKey of 4-benzyl-2,5-diphenyl-4H-pyrazol-3-one?
The InChIKey is PJUKCVCMCFNHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O/c25-22-20(16-17-10-4-1-5-11-17)21(18-12-6-2-7-13-18)23-24(22)19-14-8-3-9-15-19/h1-15,20H,16H2.
What are the key properties of 4-benzyl-2,5-diphenyl-4H-pyrazol-3-one?
4-benzyl-2,5-diphenyl-4H-pyrazol-3-one has a molecular weight of 326.40 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2,5-diphenyl-4H-pyrazol-3-one is sourced from PubChem (CID 15263292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).