5-Benzyl-1H-pyrazolo[4,3-e]pyrimidin-4-one
[CAS# 69398-33-0]

Identification

• Name: 5-Benzyl-1H-pyrazolo[4,3-e]pyrimidin-4-one
• Synonyms: 5-(Benzyl)-1H-Pyrazolo[4,3-E]Pyrimidin-4-One; 1H-Pyrazolo(3,4-D)Pyrimidin-4-One, 4,5-Dihydro-5-Benzyl-; 5-Benzyl-4,5-Dihydro-1H-Pyrazolo(3,4-D)Pyrimidin-4-One
• Molecular Formula: C₁₂H₁₀N₄O
• Molecular Weight: 226.24
• CAS Registry Number: 69398-33-0
• SMILES: C1=N[NH]C2=C1C(=O)N(C=N2)CC3=CC=CC=C3
• InChI: 1S/C12H10N4O/c17-12-10-6-14-15-11(10)13-8-16(12)7-9-4-2-1-3-5-9/h1-6,8H,7H2,(H,14,15)
• InChIKey: FQXKRMCCAZDGMY-UHFFFAOYSA-N

Properties

• Density: 1.392g/cm³ (Cal.)
• Boiling point: 503.448°C at 760 mmHg (Cal.)
• Flash point: 258.276°C (Cal.)