4-benzyl-2-cyclohexyl-5-phenyl-4H-pyrazol-3-one

C22H24N2O — CID 164611118

IUPAC4-benzyl-2-cyclohexyl-5-phenyl-4H-pyrazol-3-one
SMILESO=C1C(Cc2ccccc2)C(c2ccccc2)=NN1C1CCCCC1
InChIInChI=1S/C22H24N2O/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/h1-2,4-7,10-13,19-20H,3,8-9,14-16H2
InChIKeyGXEGFHKUKQNBGX-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.42
Rot. Bonds4

About 4-benzyl-2-cyclohexyl-5-phenyl-4H-pyrazol-3-one

4-benzyl-2-cyclohexyl-5-phenyl-4H-pyrazol-3-one (PubChem CID 164611118) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is 4-benzyl-2-cyclohexyl-5-phenyl-4H-pyrazol-3-one.

Molecular Properties

Compound Name4-benzyl-2-cyclohexyl-5-phenyl-4H-pyrazol-3-one
PubChem CID164611118
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC Name4-benzyl-2-cyclohexyl-5-phenyl-4H-pyrazol-3-one
SMILESO=C1C(Cc2ccccc2)C(c2ccccc2)=NN1C1CCCCC1
InChIInChI=1S/C22H24N2O/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/h1-2,4-7,10-13,19-20H,3,8-9,14-16H2
InChIKeyGXEGFHKUKQNBGX-UHFFFAOYSA-N
XLogP4.42
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-acetyl-3,5-diphenyl-4,5-dihydro-(1H)-pyrazole
CID 207753
(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)(phenyl)methanone
CID 2841175
Cyclohexyl(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)methanone
CID 3078480
1-(3,5-Diphenyl-4,5-dihydro-pyrazol-1-yl)-propan-1-one
CID 3095456
2-Ethyl-6-phenyl-4,5-dihydro-2H-pyridazin-3-one
CID 814967
N-cyclopentyl-3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)propanamide
CID 6624453
2-benzyl-6-styryl-4,5-dihydro-3(2H)-pyridazinone
CID 1472186
2-allyl-6-(4-methylstyryl)-4,5-dihydro-3(2H)-pyridazinone
CID 1475372
2-[[3-methyl-5-oxo-1-(phenylmethyl)-4H-pyrazol-4-yl]-phenylmethyl]propanedinitrile
CID 3124999
N-(3-methylbutyl)-3-[3-(4-methylphenyl)-6-oxo-5,6-dihydropyridazin-1(4H)-yl]propanamide
CID 12005450
N-cyclopentyl-3-[3-(4-methylphenyl)-6-oxo-5,6-dihydropyridazin-1(4H)-yl]propanamide
CID 16001610
1-[5-(4-Fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]propan-1-one
CID 25147363

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-cyclohexyl-5-phenyl-4H-pyrazol-3-one?
The IUPAC name of 4-benzyl-2-cyclohexyl-5-phenyl-4H-pyrazol-3-one (CID 164611118) is 4-benzyl-2-cyclohexyl-5-phenyl-4H-pyrazol-3-one.
What is the SMILES notation for 4-benzyl-2-cyclohexyl-5-phenyl-4H-pyrazol-3-one?
The canonical SMILES for 4-benzyl-2-cyclohexyl-5-phenyl-4H-pyrazol-3-one is O=C1C(Cc2ccccc2)C(c2ccccc2)=NN1C1CCCCC1.
What is the InChIKey of 4-benzyl-2-cyclohexyl-5-phenyl-4H-pyrazol-3-one?
The InChIKey is GXEGFHKUKQNBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O/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/h1-2,4-7,10-13,19-20H,3,8-9,14-16H2.
What are the key properties of 4-benzyl-2-cyclohexyl-5-phenyl-4H-pyrazol-3-one?
4-benzyl-2-cyclohexyl-5-phenyl-4H-pyrazol-3-one has a molecular weight of 332.45 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-cyclohexyl-5-phenyl-4H-pyrazol-3-one is sourced from PubChem (CID 164611118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).