2,5-Diphenyl-4-(1-Piperidinylmethylene)-2H-Pyrazol-3(4H)-One
[CAS# 5272-54-8]

Identification

• Name: 2,5-Diphenyl-4-(1-Piperidinylmethylene)-2H-Pyrazol-3(4H)-One
• Synonyms: (4Z)-2,5-Di(Phenyl)-4-(1-Piperidylmethylene)Pyrazol-3-One; (4Z)-2,5-Di(Phenyl)-4-(1-Piperidylmethylene)-3-Pyrazolone; (4Z)-2,5-Di(Phenyl)-4-(Piperidinomethylene)Pyrazol-3-One
• Molecular Formula: C₂₁H₂₁N₃O
• Molecular Weight: 331.42
• CAS Registry Number: 5272-54-8
• SMILES: C1=CC=CC=C1C2=NN(C(\C2=C/N3CCCCC3)=O)C4=CC=CC=C4
• InChI: 1S/C21H21N3O/c25-21-19(16-23-14-8-3-9-15-23)20(17-10-4-1-5-11-17)22-24(21)18-12-6-2-7-13-18/h1-2,4-7,10-13,16H,3,8-9,14-15H2/b19-16-
• InChIKey: LIHHMCZSEMOCLV-MNDPQUGUSA-N

Properties

• Density: 1.183g/cm³ (Cal.)
• Boiling point: 456.753°C at 760 mmHg (Cal.)
• Flash point: 230.036°C (Cal.)