2-phenyl-4-prop-2-enyl-1H-pyrazol-3-one

C12H12N2O — CID 91335498

IUPAC2-phenyl-4-prop-2-enyl-1H-pyrazol-3-one
SMILESC=CCc1c[nH]n(-c2ccccc2)c1=O
InChIInChI=1S/C12H12N2O/c1-2-6-10-9-13-14(12(10)15)11-7-4-3-5-8-11/h2-5,7-9,13H,1,6H2
InChIKeyHURHZJXBVASXBL-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.89
Rot. Bonds3

About 2-phenyl-4-prop-2-enyl-1H-pyrazol-3-one

2-phenyl-4-prop-2-enyl-1H-pyrazol-3-one (PubChem CID 91335498) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-phenyl-4-prop-2-enyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-phenyl-4-prop-2-enyl-1H-pyrazol-3-one
PubChem CID91335498
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name2-phenyl-4-prop-2-enyl-1H-pyrazol-3-one
SMILESC=CCc1c[nH]n(-c2ccccc2)c1=O
InChIInChI=1S/C12H12N2O/c1-2-6-10-9-13-14(12(10)15)11-7-4-3-5-8-11/h2-5,7-9,13H,1,6H2
InChIKeyHURHZJXBVASXBL-UHFFFAOYSA-N
XLogP1.89
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-methyl-2-phenyl-1H-pyrazol-3-one
CID 12799760
2-phenyl-3-prop-2-enyl-1H-pyrazol-5-one
CID 70353726
5-amino-2-phenyl-1H-pyridazine-3,4-dione
CID 5200261
4-(hydroxymethyl)-2-(4-methylphenyl)-1H-pyrazol-3-one
CID 115068748
5-methyl-2-phenyl-4-[(4-prop-2-enylphenyl)diazenyl]-1H-pyrazol-3-one
CID 135719010
4-(2-methylpropanoyl)-2-phenyl-1H-pyrazol-3-one
CID 174459368
2-(4-fluorophenyl)-4-(hydroxymethyl)-1H-pyrazol-3-one
CID 115068749
2-[2-(2-bromophenyl)-3-oxo-1H-pyrazol-4-yl]acetic acid
CID 115068738
1-phenylpyrrole-2,5-dione;2-prop-2-enylphenol
CID 86738922
4-(aminomethyl)-2-(4-hydroxyphenyl)-1H-pyrazol-3-one
CID 83882340
3-[2-(3-hydroxyphenyl)-3-oxo-1H-pyrazol-4-yl]propanoic acid
CID 115068713
(Z)-but-2-ene;3-phenyl-5-prop-2-enyl-1H-thieno[2,3-d]pyrimidine-2,4-dione
CID 143238478

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-prop-2-enyl-1H-pyrazol-3-one?
The IUPAC name of 2-phenyl-4-prop-2-enyl-1H-pyrazol-3-one (CID 91335498) is 2-phenyl-4-prop-2-enyl-1H-pyrazol-3-one.
What is the SMILES notation for 2-phenyl-4-prop-2-enyl-1H-pyrazol-3-one?
The canonical SMILES for 2-phenyl-4-prop-2-enyl-1H-pyrazol-3-one is C=CCc1c[nH]n(-c2ccccc2)c1=O.
What is the InChIKey of 2-phenyl-4-prop-2-enyl-1H-pyrazol-3-one?
The InChIKey is HURHZJXBVASXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-2-6-10-9-13-14(12(10)15)11-7-4-3-5-8-11/h2-5,7-9,13H,1,6H2.
What are the key properties of 2-phenyl-4-prop-2-enyl-1H-pyrazol-3-one?
2-phenyl-4-prop-2-enyl-1H-pyrazol-3-one has a molecular weight of 200.24 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-prop-2-enyl-1H-pyrazol-3-one is sourced from PubChem (CID 91335498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).