5-(oxomethylidene)-4-phenylpyrazol-3-one

C10H6N2O2 — CID 57090717

IUPAC5-(oxomethylidene)-4-phenylpyrazol-3-one
SMILESO=C=C1N=NC(=O)C1c1ccccc1
InChIInChI=1S/C10H6N2O2/c13-6-8-9(10(14)12-11-8)7-4-2-1-3-5-7/h1-5,9H
InChIKeyVINPPVSQURUMOA-UHFFFAOYSA-N
MW186.17 g/mol
LogP1.48
Rot. Bonds1

About 5-(oxomethylidene)-4-phenylpyrazol-3-one

5-(oxomethylidene)-4-phenylpyrazol-3-one (PubChem CID 57090717) has the molecular formula C10H6N2O2 and a molecular weight of 186.17 g/mol. Its IUPAC name is 5-(oxomethylidene)-4-phenylpyrazol-3-one.

Molecular Properties

Compound Name5-(oxomethylidene)-4-phenylpyrazol-3-one
PubChem CID57090717
Molecular FormulaC10H6N2O2
Molecular Weight186.17 g/mol
Exact Mass186.04
IUPAC Name5-(oxomethylidene)-4-phenylpyrazol-3-one
SMILESO=C=C1N=NC(=O)C1c1ccccc1
InChIInChI=1S/C10H6N2O2/c13-6-8-9(10(14)12-11-8)7-4-2-1-3-5-7/h1-5,9H
InChIKeyVINPPVSQURUMOA-UHFFFAOYSA-N
XLogP1.48
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(oxomethylidene)-4-phenylpyrazol-3-one with MolForge

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

Launch Full Analysis

Related Compounds

4-phenylpyrazole-3,5-dione
CID 57268798
3-phenyl-3H-pyridazin-6-one
CID 86287397
8-phenylbicyclo[4.2.0]octa-1,3,5-trien-7-one
CID 14617627
(5R)-2-methylsulfanyl-5-phenyl-1H-pyrimidine-4,6-dione
CID 129385795
3-phenyl-3,4-dihydropyrazol-5-one
CID 22363954
4-(4-propan-2-ylphenyl)pyrazole-3,5-dione
CID 162468857
3-phenyl-3H-diazirine
CID 10855430
2,5-diphenyl-1,3-dioxane-4,6-dione
CID 10683306
5-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 805159
(3S)-3-phenyl-1H-quinoline-2,4-dione
CID 51552290
5-fluoro-2-phenylindene-1,3-dione
CID 3043662
3-methylimino-2-phenylinden-1-one
CID 91824479

Frequently Asked Questions

What is the IUPAC name of 5-(oxomethylidene)-4-phenylpyrazol-3-one?
The IUPAC name of 5-(oxomethylidene)-4-phenylpyrazol-3-one (CID 57090717) is 5-(oxomethylidene)-4-phenylpyrazol-3-one.
What is the SMILES notation for 5-(oxomethylidene)-4-phenylpyrazol-3-one?
The canonical SMILES for 5-(oxomethylidene)-4-phenylpyrazol-3-one is O=C=C1N=NC(=O)C1c1ccccc1.
What is the InChIKey of 5-(oxomethylidene)-4-phenylpyrazol-3-one?
The InChIKey is VINPPVSQURUMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2O2/c13-6-8-9(10(14)12-11-8)7-4-2-1-3-5-7/h1-5,9H.
What are the key properties of 5-(oxomethylidene)-4-phenylpyrazol-3-one?
5-(oxomethylidene)-4-phenylpyrazol-3-one has a molecular weight of 186.17 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxomethylidene)-4-phenylpyrazol-3-one is sourced from PubChem (CID 57090717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).