3-Amino-5-[(Z)-2-(1,3-Benzodioxol-5-Yl)-1-Cyanovinyl]-1H-Pyrazole-4-Carbonitrile
[CAS 354158-98-8]

Identification

• Name: 3-Amino-5-[(Z)-2-(1,3-Benzodioxol-5-Yl)-1-Cyanovinyl]-1H-Pyrazole-4-Carbonitrile
• Synonyms: 5-Amino-3-(2-benzo[1,3]dioxol-5-yl-1-cyano-vinyl)-1H-pyrazole-4-carbonitrile; 5-amino-3-[2-(1,3-benzodioxol-5-yl)-1-cyanovinyl]-1H-pyrazole-4-carbonitrile; AK-968/12164164
• Molecular Formula: C₁₄H₉N₅O₂
• Molecular Weight: 279.25
• CAS Registry Number: 354158-98-8
• SMILES: N#Cc1c(nnc1C(\C#N)=C\c2ccc3OCOc3c2)N
• InChI: 1S/C14H9N5O2/c15-5-9(13-10(6-16)14(17)19-18-13)3-8-1-2-11-12(4-8)21-7-20-11/h1-4H,7H2,(H3,17,18,19)/b9-3+
• InChIKey: ZEYLBMZRBYXANQ-YCRREMRBSA-N

Properties

• Density: 1.544g/cm³ (Cal.)
• Boiling point: 629.716°C at 760 mmHg (Cal.)
• Flash point: 334.64°C (Cal.)
• Refractive index: 1.713 (Cal.)