5-Methyl-4-Nitro-N-(Phenylmethyl)-1H-Pyrazole-3-Carboxamide
[CAS# 80030-79-1]

Identification

• Name: 5-Methyl-4-Nitro-N-(Phenylmethyl)-1H-Pyrazole-3-Carboxamide
• Synonyms: N-(Benzyl)-5-Methyl-4-Nitro-1H-Pyrazole-3-Carboxamide; 1H-Pyrazole-3-Carboxamide, 5-Methyl-4-Nitro-N-(Phenylmethyl)-; Brn 4517215
• Molecular Formula: C₁₂H₁₂N₄O₃
• Molecular Weight: 260.25
• CAS Registry Number: 80030-79-1
• SMILES: C1=CC=CC=C1CNC(C2=N[NH]C(=C2[N+]([O-])=O)C)=O
• InChI: 1S/C12H12N4O3/c1-8-11(16(18)19)10(15-14-8)12(17)13-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,13,17)(H,14,15)
• InChIKey: HPYOXONPVXSOEL-UHFFFAOYSA-N

Properties

• Density: 1.369g/cm³ (Cal.)
• Boiling point: 508.039°C at 760 mmHg (Cal.)
• Flash point: 261.053°C (Cal.)