ChemSpider 2D Image | 5-Amino-3-{(Z)-1-cyano-2-[4-(dimethylamino)-3-nitrophenyl]vinyl}-1H-pyrazole-4-carbonitrile | C15H13N7O2

5-Amino-3-{(Z)-1-cyano-2-[4-(dimethylamino)-3-nitrophenyl]vinyl}-1H-pyrazole-4-carbonitrile

  • Molecular FormulaC15H13N7O2
  • Average mass323.309 Da
  • Monoisotopic mass323.113068 Da
  • ChemSpider ID22937665

  • Double-bond stereo - Double-bond stereo

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1H-Pyrazole-3-acetonitrile, 5-amino-4-cyano-α-[[4-(dimethylamino)-3-nitrophenyl]methylene]-, (αZ)- [ACD/Index Name]
5-Amino-3-{(Z)-1-cyan-2-[4-(dimethylamino)-3-nitrophenyl]vinyl}-1H-pyrazol-4-carbonitril [German] [ACD/IUPAC Name]
5-Amino-3-{(Z)-1-cyano-2-[4-(dimethylamino)-3-nitrophenyl]vinyl}-1H-pyrazole-4-carbonitrile [ACD/IUPAC Name]
5-Amino-3-{(Z)-1-cyano-2-[4-(diméthylamino)-3-nitrophényl]vinyl}-1H-pyrazole-4-carbonitrile [French] [ACD/IUPAC Name]
3-AMINO-5-[(1Z)-1-CYANO-2-[4-(DIMETHYLAMINO)-3-NITROPHENYL]ETH-1-EN-1-YL]-2H-PYRAZOLE-4-CARBONITRILE
5-AMINO-3-[(1Z)-1-CYANO-2-[4-(DIMETHYLAMINO)-3-NITROPHENYL]ETH-1-EN-1-YL]-1H-PYRAZOLE-4-CARBONITRILE
5-amino-3-{(Z)-1-cyano-2-[4-(dimethylamino)-3-nitrophenyl]ethenyl}-1H-pyrazole-4-carbonitrile

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 671.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.7±3.0 kJ/mol
Flash Point: 359.9±31.5 °C
Index of Refraction: 1.682
Molar Refractivity: 84.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.39
ACD/LogD (pH 5.5): 2.26
ACD/BCF (pH 5.5): 30.89
ACD/KOC (pH 5.5): 405.55
ACD/LogD (pH 7.4): 2.26
ACD/BCF (pH 7.4): 30.88
ACD/KOC (pH 7.4): 405.39
Polar Surface Area: 151 Å2
Polarizability: 33.3±0.5 10-24cm3
Surface Tension: 91.0±5.0 dyne/cm
Molar Volume: 221.8±5.0 cm3

Click to predict properties on the Chemicalize site


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