4-benzoyl-2,5-diphenyl-1H-pyrazol-3-one

C22H16N2O2 — CID 12053553

IUPAC4-benzoyl-2,5-diphenyl-1H-pyrazol-3-one
SMILESO=C(c1ccccc1)c1c(-c2ccccc2)[nH]n(-c2ccccc2)c1=O
InChIInChI=1S/C22H16N2O2/c25-21(17-12-6-2-7-13-17)19-20(16-10-4-1-5-11-16)23-24(22(19)26)18-14-8-3-9-15-18/h1-15,23H
InChIKeyXXGVPCIBOCETLF-UHFFFAOYSA-N
MW340.38 g/mol
LogP4.06
Rot. Bonds4

About 4-benzoyl-2,5-diphenyl-1H-pyrazol-3-one

4-benzoyl-2,5-diphenyl-1H-pyrazol-3-one (PubChem CID 12053553) has the molecular formula C22H16N2O2 and a molecular weight of 340.38 g/mol. Its IUPAC name is 4-benzoyl-2,5-diphenyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-benzoyl-2,5-diphenyl-1H-pyrazol-3-one
PubChem CID12053553
Molecular FormulaC22H16N2O2
Molecular Weight340.38 g/mol
Exact Mass340.12
IUPAC Name4-benzoyl-2,5-diphenyl-1H-pyrazol-3-one
SMILESO=C(c1ccccc1)c1c(-c2ccccc2)[nH]n(-c2ccccc2)c1=O
InChIInChI=1S/C22H16N2O2/c25-21(17-12-6-2-7-13-17)19-20(16-10-4-1-5-11-16)23-24(22(19)26)18-14-8-3-9-15-18/h1-15,23H
InChIKeyXXGVPCIBOCETLF-UHFFFAOYSA-N
XLogP4.06
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-oxo-2,5-diphenyl-1H-pyrazole-4-carboxylate
CID 2384840
4-(5-bromofuran-2-carbonyl)-2,5-diphenyl-1H-pyrazol-3-one
CID 42141336
4-(C-methyl-N-phenylcarbonimidoyl)-2,5-diphenyl-1H-pyrazol-3-one
CID 135794298
4-(N-cyclopropyl-C-methylcarbonimidoyl)-2,5-diphenyl-1H-pyrazol-3-one
CID 135728399
bis(4-benzoyl-5-methyl-2-phenyl-1H-pyrazol-3-one);diphenyltin
CID 50897176
1-amino-3-phenylurea;2,5-diphenyl-4-(thiophene-2-carbonyl)-1H-pyrazol-3-one
CID 175414926
4-[C-methyl-N-(2-phenylphenyl)carbonimidoyl]-2,5-diphenyl-1H-pyrazol-3-one
CID 135728590
4-(N-cyclopentyl-C-methylcarbonimidoyl)-2,5-diphenyl-1H-pyrazol-3-one
CID 135728402
4-[N-(4-fluorophenyl)-C-methylcarbonimidoyl]-2,5-diphenyl-1H-pyrazol-3-one
CID 135728568
4-[N-(4-bromophenyl)-C-methylcarbonimidoyl]-2,5-diphenyl-1H-pyrazol-3-one
CID 135728564
4-(N-butyl-C-methylcarbonimidoyl)-2,5-diphenyl-1H-pyrazol-3-one
CID 135728374
3-methyl-N-[(E)-1-(3-oxo-2,5-diphenyl-1H-pyrazol-4-yl)ethylideneamino]butanamide
CID 135644575

Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-2,5-diphenyl-1H-pyrazol-3-one?
The IUPAC name of 4-benzoyl-2,5-diphenyl-1H-pyrazol-3-one (CID 12053553) is 4-benzoyl-2,5-diphenyl-1H-pyrazol-3-one.
What is the SMILES notation for 4-benzoyl-2,5-diphenyl-1H-pyrazol-3-one?
The canonical SMILES for 4-benzoyl-2,5-diphenyl-1H-pyrazol-3-one is O=C(c1ccccc1)c1c(-c2ccccc2)[nH]n(-c2ccccc2)c1=O.
What is the InChIKey of 4-benzoyl-2,5-diphenyl-1H-pyrazol-3-one?
The InChIKey is XXGVPCIBOCETLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O2/c25-21(17-12-6-2-7-13-17)19-20(16-10-4-1-5-11-16)23-24(22(19)26)18-14-8-3-9-15-18/h1-15,23H.
What are the key properties of 4-benzoyl-2,5-diphenyl-1H-pyrazol-3-one?
4-benzoyl-2,5-diphenyl-1H-pyrazol-3-one has a molecular weight of 340.38 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-2,5-diphenyl-1H-pyrazol-3-one is sourced from PubChem (CID 12053553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).