ChemSpider 2D Image | 5-Methyl-1-{[2-(4-nitro-1H-pyrazol-1-yl)ethyl]carbamoyl}-3-piperidinecarboxylic acid | C13H19N5O5

5-Methyl-1-{[2-(4-nitro-1H-pyrazol-1-yl)ethyl]carbamoyl}-3-piperidinecarboxylic acid

  • Molecular FormulaC13H19N5O5
  • Average mass325.320 Da
  • Monoisotopic mass325.138611 Da
  • ChemSpider ID58102564

More details:

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

3-Piperidinecarboxylic acid, 5-methyl-1-[[[2-(4-nitro-1H-pyrazol-1-yl)ethyl]amino]carbonyl]- [ACD/Index Name]
5-Methyl-1-{[2-(4-nitro-1H-pyrazol-1-yl)ethyl]carbamoyl}-3-piperidincarbonsäure [German] [ACD/IUPAC Name]
5-Methyl-1-{[2-(4-nitro-1H-pyrazol-1-yl)ethyl]carbamoyl}-3-piperidinecarboxylic acid [ACD/IUPAC Name]
Acide 5-méthyl-1-{[2-(4-nitro-1H-pyrazol-1-yl)éthyl]carbamoyl}-3-pipéridinecarboxylique [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 644.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.9±3.0 kJ/mol
Flash Point: 343.6±31.5 °C
Index of Refraction: 1.671
Molar Refractivity: 79.4±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 0.86
ACD/LogD (pH 5.5): 0.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 16.97
ACD/LogD (pH 7.4): -1.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 133 Å2
Polarizability: 31.5±0.5 10-24cm3
Surface Tension: 68.0±7.0 dyne/cm
Molar Volume: 212.2±7.0 cm3

Click to predict properties on the Chemicalize site


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