ChemSpider 2D Image | {1-[3-(4-Methylphenyl)-1-phenyl-1H-pyrazol-4-yl]-2-(2-quinolinyl)ethyl}malononitrile | C30H23N5

{1-[3-(4-Methylphenyl)-1-phenyl-1H-pyrazol-4-yl]-2-(2-quinolinyl)ethyl}malononitrile

  • Molecular FormulaC30H23N5
  • Average mass453.537 Da
  • Monoisotopic mass453.195343 Da
  • ChemSpider ID74147480

More details:

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

{1-[3-(4-Méthylphényl)-1-phényl-1H-pyrazol-4-yl]-2-(2-quinoléinyl)éthyl}malononitrile [French] [ACD/IUPAC Name]
{1-[3-(4-Methylphenyl)-1-phenyl-1H-pyrazol-4-yl]-2-(2-quinolinyl)ethyl}malononitrile [ACD/IUPAC Name]
{2-(2-Chinolinyl)-1-[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]ethyl}malononitril [German] [ACD/IUPAC Name]
Propanedinitrile, 2-[1-[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]-2-(2-quinolinyl)ethyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 687.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.8±3.0 kJ/mol
Flash Point: 369.5±31.5 °C
Index of Refraction: 1.657
Molar Refractivity: 141.8±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 6.35
ACD/LogD (pH 5.5): 5.64
ACD/BCF (pH 5.5): 11187.16
ACD/KOC (pH 5.5): 26653.26
ACD/LogD (pH 7.4): 5.69
ACD/BCF (pH 7.4): 12503.16
ACD/KOC (pH 7.4): 29788.60
Polar Surface Area: 78 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 48.9±7.0 dyne/cm
Molar Volume: 385.3±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement