2,4-Dihydro-2-Methyl-5-Phenyl-3H-Pyrazol-3-One
[CAS# 41927-50-8]

Identification

• Name: 2,4-Dihydro-2-Methyl-5-Phenyl-3H-Pyrazol-3-One
• Synonyms: 2-Methyl-5-Phenyl-2,4-Dihydro-3H-Pyrazol-3-One; Zinc00154463; Idi1_030087
• Molecular Formula: C₁₀H₁₀N₂O
• Molecular Weight: 174.20
• CAS Registry Number: 41927-50-8
• SMILES: C2=C(C1=NN(C(=O)C1)C)C=CC=C2
• InChI: 1S/C10H10N2O/c1-12-10(13)7-9(11-12)8-5-3-2-4-6-8/h2-6H,7H2,1H3
• InChIKey: NIXIJMXBXHWPEK-UHFFFAOYSA-N

Properties

• Density: 1.174g/cm³ (Cal.)
• Boiling point: 333.697°C at 760 mmHg (Cal.)
• Flash point: 155.615°C (Cal.)

References

• (1): Philip Prathipati, Ngai Ling Ma* and Thomas H. Keller. Global Bayesian Models for the Prioritization of Antitubercular Agents, J. Chem. Inf. Model., 2008, 48 (12), pp 2362–2370