ChemSpider 2D Image | N-Cyclopropyl-1-[3-hydroxy-5-(trifluoromethyl)benzyl]-4-nitro-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide | C16H12F6N4O4

N-Cyclopropyl-1-[3-hydroxy-5-(trifluoromethyl)benzyl]-4-nitro-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

  • Molecular FormulaC16H12F6N4O4
  • Average mass438.281 Da
  • Monoisotopic mass438.076263 Da
  • ChemSpider ID122142119

More details:

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

1H-Pyrazole-3-carboxamide, N-cyclopropyl-1-[[3-hydroxy-5-(trifluoromethyl)phenyl]methyl]-4-nitro-5-(trifluoromethyl)- [ACD/Index Name]
N-Cyclopropyl-1-[3-hydroxy-5-(trifluormethyl)benzyl]-4-nitro-5-(trifluormethyl)-1H-pyrazol-3-carboxamid [German] [ACD/IUPAC Name]
N-Cyclopropyl-1-[3-hydroxy-5-(trifluoromethyl)benzyl]-4-nitro-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide [ACD/IUPAC Name]
N-Cyclopropyl-1-[3-hydroxy-5-(trifluorométhyl)benzyl]-4-nitro-5-(trifluorométhyl)-1H-pyrazole-3-carboxamide [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 556.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.0±3.0 kJ/mol
Flash Point: 290.6±30.1 °C
Index of Refraction: 1.599
Molar Refractivity: 86.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.66
ACD/LogD (pH 5.5): 3.19
ACD/BCF (pH 5.5): 155.96
ACD/KOC (pH 5.5): 1292.02
ACD/LogD (pH 7.4): 3.16
ACD/BCF (pH 7.4): 147.26
ACD/KOC (pH 7.4): 1219.94
Polar Surface Area: 113 Å2
Polarizability: 34.2±0.5 10-24cm3
Surface Tension: 49.1±7.0 dyne/cm
Molar Volume: 252.7±7.0 cm3

Click to predict properties on the Chemicalize site


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