ChemSpider 2D Image | N-{[3-(4-Fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methyl}-1H-benzotriazole-5-carboxamide | C23H17FN6O

N-{[3-(4-Fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methyl}-1H-benzotriazole-5-carboxamide

  • Molecular FormulaC23H17FN6O
  • Average mass412.419 Da
  • Monoisotopic mass412.144775 Da
  • ChemSpider ID22083655

More details:

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

1H-1,2,3-Benzotriazole-5-carboxamide, N-[[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methyl]- [ACD/Index Name]
N-{[3-(4-Fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methyl}-1H-benzotriazole-5-carboxamide [ACD/IUPAC Name]
N-{[3-(4-Fluorophényl)-1-phényl-1H-pyrazol-4-yl]méthyl}-1H-benzotriazole-5-carboxamide [French] [ACD/IUPAC Name]
N-{[3-(4-Fluorphenyl)-1-phenyl-1H-pyrazol-4-yl]methyl}-1H-benzotriazol-5-carboxamid [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 779.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.4±3.0 kJ/mol
Flash Point: 425.2±32.9 °C
Index of Refraction: 1.715
Molar Refractivity: 115.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.50
ACD/LogD (pH 5.5): 3.26
ACD/BCF (pH 5.5): 175.83
ACD/KOC (pH 5.5): 1403.62
ACD/LogD (pH 7.4): 2.98
ACD/BCF (pH 7.4): 93.72
ACD/KOC (pH 7.4): 748.13
Polar Surface Area: 88 Å2
Polarizability: 45.9±0.5 10-24cm3
Surface Tension: 56.4±7.0 dyne/cm
Molar Volume: 294.5±7.0 cm3

Click to predict properties on the Chemicalize site


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