1,2-Dimethyl-5-Phenyl-4-(Quinazolin-4-Ylamino)Pyrazol-3-One
[CAS# 100330-91-4]

Identification

• Name: 1,2-Dimethyl-5-Phenyl-4-(Quinazolin-4-Ylamino)Pyrazol-3-One
• Synonyms: 1,2-Dimethyl-5-Phenyl-4-(4-Quinazolinylamino)-3-Pyrazolone; 3H-Pyrazol-3-One, 1,2-Dihydro-1,5-Dimethyl-2-Phenyl-4-(4-Quinazolinylamino)-; Quinazopyrine
• Molecular Formula: C₁₉H₁₇N₅O
• Molecular Weight: 331.38
• CAS Registry Number: 100330-91-4
• SMILES: C2=NC1=CC=CC=C1C(=N2)NC3=C(N(N(C3=O)C)C)C4=CC=CC=C4
• InChI: 1S/C19H17N5O/c1-23-17(13-8-4-3-5-9-13)16(19(25)24(23)2)22-18-14-10-6-7-11-15(14)20-12-21-18/h3-12H,1-2H3,(H,20,21,22)
• InChIKey: BUKOAJQSMCFSQJ-UHFFFAOYSA-N

Properties

• Density: 1.345g/cm³ (Cal.)
• Boiling point: 514.037°C at 760 mmHg (Cal.)
• Flash point: 264.68°C (Cal.)