4-benzyl-2-phenylcyclopenta[c]pyrazol-3-one

C19H14N2O — CID 69296738

IUPAC4-benzyl-2-phenylcyclopenta[c]pyrazol-3-one
SMILESO=C1C2=C(Cc3ccccc3)C=CC2=NN1c1ccccc1
InChIInChI=1S/C19H14N2O/c22-19-18-15(13-14-7-3-1-4-8-14)11-12-17(18)20-21(19)16-9-5-2-6-10-16/h1-12H,13H2
InChIKeyAPHNSCOLEVJUSQ-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.50
Rot. Bonds3

About 4-benzyl-2-phenylcyclopenta[c]pyrazol-3-one

4-benzyl-2-phenylcyclopenta[c]pyrazol-3-one (PubChem CID 69296738) has the molecular formula C19H14N2O and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-benzyl-2-phenylcyclopenta[c]pyrazol-3-one.

Molecular Properties

Compound Name4-benzyl-2-phenylcyclopenta[c]pyrazol-3-one
PubChem CID69296738
Molecular FormulaC19H14N2O
Molecular Weight286.33 g/mol
Exact Mass286.11
IUPAC Name4-benzyl-2-phenylcyclopenta[c]pyrazol-3-one
SMILESO=C1C2=C(Cc3ccccc3)C=CC2=NN1c1ccccc1
InChIInChI=1S/C19H14N2O/c22-19-18-15(13-14-7-3-1-4-8-14)11-12-17(18)20-21(19)16-9-5-2-6-10-16/h1-12H,13H2
InChIKeyAPHNSCOLEVJUSQ-UHFFFAOYSA-N
XLogP3.50
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_A(201)', 'substructure': 'N/A'}

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Related Compounds

3H-Pyrazol-3-one, 2,4-dihydro-2,5-diphenyl-
CID 78559
2,4-Dihydro-5-methyl-2-(4-methylphenyl)-3H-pyrazol-3-one
CID 66591
1-Phenyl-3-methyl-4-benzoyl-5-pyrazolone
CID 97690
C.I. Solvent Yellow 93
CID 5705091
4,4'-Bis(1-phenyl-3-methyl-5-pyrazolone)
CID 95807
3-Methyl-1,4-diphenyl-1H-pyrazole-5(4H)-one
CID 11414033
(4E)-5,5'-Dimethyl-2,2'-diphenyl-4,4'-bipyrazole-3,3'(2H,2'H)-dione
CID 2825117
4-Isopropylidene-5-methyl-2-phenyl-2,4-dihydro-pyrazol-3-one
CID 4998861
4-Methyl-2-phenyl-2H-phthalazin-1-one
CID 245552
4-(4-Dimethylamino-benzylidene)-2-(3-fluoro-phenyl)-5-methyl-2,4-dihydro-pyrazol-3-one
CID 5284927
2-phenyl-3a,4,5,6-tetrahydrocyclopenta[c]pyrazol-3(2H)-one
CID 2877964
1,5-Dimethyl-2-phenyl-4-[(E)-3-phenyl-prop-2-en-(E)-ylideneamino]-2,4-dihydro-pyrazol-3-one
CID 6123792

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-phenylcyclopenta[c]pyrazol-3-one?
The IUPAC name of 4-benzyl-2-phenylcyclopenta[c]pyrazol-3-one (CID 69296738) is 4-benzyl-2-phenylcyclopenta[c]pyrazol-3-one.
What is the SMILES notation for 4-benzyl-2-phenylcyclopenta[c]pyrazol-3-one?
The canonical SMILES for 4-benzyl-2-phenylcyclopenta[c]pyrazol-3-one is O=C1C2=C(Cc3ccccc3)C=CC2=NN1c1ccccc1.
What is the InChIKey of 4-benzyl-2-phenylcyclopenta[c]pyrazol-3-one?
The InChIKey is APHNSCOLEVJUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O/c22-19-18-15(13-14-7-3-1-4-8-14)11-12-17(18)20-21(19)16-9-5-2-6-10-16/h1-12H,13H2.
What are the key properties of 4-benzyl-2-phenylcyclopenta[c]pyrazol-3-one?
4-benzyl-2-phenylcyclopenta[c]pyrazol-3-one has a molecular weight of 286.33 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-phenylcyclopenta[c]pyrazol-3-one is sourced from PubChem (CID 69296738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).