ChemSpider 2D Image | Methyl 4-nitro-1-(2-piperidinyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxylate | C11H13F3N4O4

Methyl 4-nitro-1-(2-piperidinyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxylate

  • Molecular FormulaC11H13F3N4O4
  • Average mass322.241 Da
  • Monoisotopic mass322.088898 Da
  • ChemSpider ID122183423

More details:

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

1H-Pyrazole-3-carboxylic acid, 4-nitro-1-(2-piperidinyl)-5-(trifluoromethyl)-, methyl ester [ACD/Index Name]
4-Nitro-1-(2-pipéridinyl)-5-(trifluorométhyl)-1H-pyrazole-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 4-nitro-1-(2-piperidinyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxylate [ACD/IUPAC Name]
Methyl-4-nitro-1-(2-piperidinyl)-5-(trifluormethyl)-1H-pyrazol-3-carboxylat [German] [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: 429.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.5±3.0 kJ/mol
Flash Point: 213.8±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: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.75
ACD/LogD (pH 5.5): -0.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.08
ACD/LogD (pH 7.4): 1.35
ACD/BCF (pH 7.4): 5.49
ACD/KOC (pH 7.4): 100.73
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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