ChemSpider 2D Image | N-[4-Cyano-1-(4,6,8-trimethyl-2-quinolinyl)-1H-pyrazol-5-yl]-5-methyl-1-phenyl-1H-pyrazole-4-carboxamide | C27H23N7O

N-[4-Cyano-1-(4,6,8-trimethyl-2-quinolinyl)-1H-pyrazol-5-yl]-5-methyl-1-phenyl-1H-pyrazole-4-carboxamide

  • Molecular FormulaC27H23N7O
  • Average mass461.518 Da
  • Monoisotopic mass461.196411 Da
  • ChemSpider ID34584064

More details:






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

1H-Pyrazole-4-carboxamide, N-[4-cyano-1-(4,6,8-trimethyl-2-quinolinyl)-1H-pyrazol-5-yl]-5-methyl-1-phenyl- [ACD/Index Name]
N-[4-Cyan-1-(4,6,8-trimethyl-2-chinolinyl)-1H-pyrazol-5-yl]-5-methyl-1-phenyl-1H-pyrazol-4-carboxamid [German] [ACD/IUPAC Name]
N-[4-Cyano-1-(4,6,8-triméthyl-2-quinoléinyl)-1H-pyrazol-5-yl]-5-méthyl-1-phényl-1H-pyrazole-4-carboxamide [French] [ACD/IUPAC Name]
N-[4-Cyano-1-(4,6,8-trimethyl-2-quinolinyl)-1H-pyrazol-5-yl]-5-methyl-1-phenyl-1H-pyrazole-4-carboxamide [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 651.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.0±3.0 kJ/mol
Flash Point: 347.6±31.5 °C
Index of Refraction: 1.694
Molar Refractivity: 136.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.47
ACD/LogD (pH 5.5): 4.46
ACD/BCF (pH 5.5): 1438.89
ACD/KOC (pH 5.5): 6340.18
ACD/LogD (pH 7.4): 4.46
ACD/BCF (pH 7.4): 1438.61
ACD/KOC (pH 7.4): 6338.96
Polar Surface Area: 101 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 51.8±7.0 dyne/cm
Molar Volume: 355.2±7.0 cm3

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