ChemSpider 2D Image | N-{4-[5-Hydroxy-3-isopropyl-1-(2-methylphenyl)-1H-pyrazol-4-yl]phenyl}-3-(trifluoromethyl)benzamide | C27H24F3N3O2

N-{4-[5-Hydroxy-3-isopropyl-1-(2-methylphenyl)-1H-pyrazol-4-yl]phenyl}-3-(trifluoromethyl)benzamide

  • Molecular FormulaC27H24F3N3O2
  • Average mass479.494 Da
  • Monoisotopic mass479.182068 Da
  • ChemSpider ID22655340

More details:

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

Benzamide, N-[4-[5-hydroxy-3-(1-methylethyl)-1-(2-methylphenyl)-1H-pyrazol-4-yl]phenyl]-3-(trifluoromethyl)- [ACD/Index Name]
N-{4-[5-Hydroxy-3-isopropyl-1-(2-methylphenyl)-1H-pyrazol-4-yl]phenyl}-3-(trifluormethyl)benzamid [German] [ACD/IUPAC Name]
N-{4-[5-Hydroxy-3-isopropyl-1-(2-methylphenyl)-1H-pyrazol-4-yl]phenyl}-3-(trifluoromethyl)benzamide [ACD/IUPAC Name]
N-{4-[5-Hydroxy-3-isopropyl-1-(2-méthylphényl)-1H-pyrazol-4-yl]phényl}-3-(trifluorométhyl)benzamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 553.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.6±3.0 kJ/mol
Flash Point: 288.6±30.1 °C
Index of Refraction: 1.592
Molar Refractivity: 128.1±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 7.27
ACD/LogD (pH 5.5): 6.29
ACD/BCF (pH 5.5): 35608.07
ACD/KOC (pH 5.5): 62929.51
ACD/LogD (pH 7.4): 6.22
ACD/BCF (pH 7.4): 30290.91
ACD/KOC (pH 7.4): 53532.58
Polar Surface Area: 67 Å2
Polarizability: 50.8±0.5 10-24cm3
Surface Tension: 40.4±7.0 dyne/cm
Molar Volume: 378.9±7.0 cm3

Click to predict properties on the Chemicalize site


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