ChemSpider 2D Image | N-Methyl-4-nitro-1-(tetrahydro-2H-pyran-3-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide | C11H13F3N4O4

N-Methyl-4-nitro-1-(tetrahydro-2H-pyran-3-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

  • Molecular FormulaC11H13F3N4O4
  • Average mass322.241 Da
  • Monoisotopic mass322.088898 Da
  • ChemSpider ID122156682

More details:

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

1H-Pyrazole-3-carboxamide, N-methyl-4-nitro-1-(tetrahydro-2H-pyran-3-yl)-5-(trifluoromethyl)- [ACD/Index Name]
N-Methyl-4-nitro-1-(tetrahydro-2H-pyran-3-yl)-5-(trifluormethyl)-1H-pyrazol-3-carboxamid [German] [ACD/IUPAC Name]
N-Methyl-4-nitro-1-(tetrahydro-2H-pyran-3-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide [ACD/IUPAC Name]
N-Méthyl-4-nitro-1-(tétrahydro-2H-pyran-3-yl)-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: 1.6±0.1 g/cm3
Boiling Point: 457.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.8±3.0 kJ/mol
Flash Point: 230.6±28.7 °C
Index of Refraction: 1.592
Molar Refractivity: 66.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.16
ACD/LogD (pH 5.5): 1.28
ACD/BCF (pH 5.5): 5.50
ACD/KOC (pH 5.5): 117.96
ACD/LogD (pH 7.4): 1.28
ACD/BCF (pH 7.4): 5.50
ACD/KOC (pH 7.4): 117.96
Polar Surface Area: 102 Å2
Polarizability: 26.2±0.5 10-24cm3
Surface Tension: 50.8±7.0 dyne/cm
Molar Volume: 195.3±7.0 cm3

Click to predict properties on the Chemicalize site


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