2-phenyl-3-prop-2-enyl-1H-pyrazol-5-one

C12H12N2O — CID 70353726

IUPAC2-phenyl-3-prop-2-enyl-1H-pyrazol-5-one
SMILESC=CCc1cc(=O)[nH]n1-c1ccccc1
InChIInChI=1S/C12H12N2O/c1-2-6-11-9-12(15)13-14(11)10-7-4-3-5-8-10/h2-5,7-9H,1,6H2,(H,13,15)
InChIKeyBWLKMHPNILPEQM-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.89
Rot. Bonds3

About 2-phenyl-3-prop-2-enyl-1H-pyrazol-5-one

2-phenyl-3-prop-2-enyl-1H-pyrazol-5-one (PubChem CID 70353726) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-phenyl-3-prop-2-enyl-1H-pyrazol-5-one.

Molecular Properties

Compound Name2-phenyl-3-prop-2-enyl-1H-pyrazol-5-one
PubChem CID70353726
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name2-phenyl-3-prop-2-enyl-1H-pyrazol-5-one
SMILESC=CCc1cc(=O)[nH]n1-c1ccccc1
InChIInChI=1S/C12H12N2O/c1-2-6-11-9-12(15)13-14(11)10-7-4-3-5-8-10/h2-5,7-9H,1,6H2,(H,13,15)
InChIKeyBWLKMHPNILPEQM-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'}

Analyze 2-phenyl-3-prop-2-enyl-1H-pyrazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-prop-2-enyl-1H-pyrazol-5-one?
The IUPAC name of 2-phenyl-3-prop-2-enyl-1H-pyrazol-5-one (CID 70353726) is 2-phenyl-3-prop-2-enyl-1H-pyrazol-5-one.
What is the SMILES notation for 2-phenyl-3-prop-2-enyl-1H-pyrazol-5-one?
The canonical SMILES for 2-phenyl-3-prop-2-enyl-1H-pyrazol-5-one is C=CCc1cc(=O)[nH]n1-c1ccccc1.
What is the InChIKey of 2-phenyl-3-prop-2-enyl-1H-pyrazol-5-one?
The InChIKey is BWLKMHPNILPEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-2-6-11-9-12(15)13-14(11)10-7-4-3-5-8-10/h2-5,7-9H,1,6H2,(H,13,15).
What are the key properties of 2-phenyl-3-prop-2-enyl-1H-pyrazol-5-one?
2-phenyl-3-prop-2-enyl-1H-pyrazol-5-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-3-prop-2-enyl-1H-pyrazol-5-one is sourced from PubChem (CID 70353726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).