ChemSpider 2D Image | 3-Acetyl-1,5-diphenyl-1H-pyrazole-4-carbonitrile | C18H13N3O

3-Acetyl-1,5-diphenyl-1H-pyrazole-4-carbonitrile

  • Molecular FormulaC18H13N3O
  • Average mass287.315 Da
  • Monoisotopic mass287.105865 Da
  • ChemSpider ID30657610

More details:

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

1H-Pyrazole-4-carbonitrile, 3-acetyl-1,5-diphenyl- [ACD/Index Name]
3-Acetyl-1,5-diphenyl-1H-pyrazol-4-carbonitril [German] [ACD/IUPAC Name]
3-Acetyl-1,5-diphenyl-1H-pyrazole-4-carbonitrile [ACD/IUPAC Name]
3-Acétyl-1,5-diphényl-1H-pyrazole-4-carbonitrile [French] [ACD/IUPAC Name]
201735-12-8 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 527.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.3±3.0 kJ/mol
Flash Point: 273.0±30.1 °C
Index of Refraction: 1.631
Molar Refractivity: 87.4±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.03
ACD/LogD (pH 5.5): 3.38
ACD/BCF (pH 5.5): 219.53
ACD/KOC (pH 5.5): 1650.61
ACD/LogD (pH 7.4): 3.38
ACD/BCF (pH 7.4): 219.53
ACD/KOC (pH 7.4): 1650.61
Polar Surface Area: 59 Å2
Polarizability: 34.7±0.5 10-24cm3
Surface Tension: 47.4±7.0 dyne/cm
Molar Volume: 245.5±7.0 cm3

Click to predict properties on the Chemicalize site


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