ChemSpider 2D Image | N-[4-Cyano-1-(2-methyl-2-propanyl)-1H-pyrazol-3-yl]-1-(2,4-difluorobenzoyl)-4-piperidinecarboxamide | C21H23F2N5O2

N-[4-Cyano-1-(2-methyl-2-propanyl)-1H-pyrazol-3-yl]-1-(2,4-difluorobenzoyl)-4-piperidinecarboxamide

  • Molecular FormulaC21H23F2N5O2
  • Average mass415.436 Da
  • Monoisotopic mass415.181976 Da
  • ChemSpider ID30269547

More details:






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

4-Piperidinecarboxamide, N-[4-cyano-1-(1,1-dimethylethyl)-1H-pyrazol-3-yl]-1-(2,4-difluorobenzoyl)- [ACD/Index Name]
N-[4-Cyan-1-(2-methyl-2-propanyl)-1H-pyrazol-3-yl]-1-(2,4-difluorbenzoyl)-4-piperidincarboxamid [German] [ACD/IUPAC Name]
N-[4-Cyano-1-(2-methyl-2-propanyl)-1H-pyrazol-3-yl]-1-(2,4-difluorobenzoyl)-4-piperidinecarboxamide [ACD/IUPAC Name]
N-[4-Cyano-1-(2-méthyl-2-propanyl)-1H-pyrazol-3-yl]-1-(2,4-difluorobenzoyl)-4-pipéridinecarboxamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 649.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.8±3.0 kJ/mol
Flash Point: 346.8±31.5 °C
Index of Refraction: 1.607
Molar Refractivity: 109.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.50
ACD/LogD (pH 5.5): 2.67
ACD/BCF (pH 5.5): 62.79
ACD/KOC (pH 5.5): 673.82
ACD/LogD (pH 7.4): 2.67
ACD/BCF (pH 7.4): 62.79
ACD/KOC (pH 7.4): 673.81
Polar Surface Area: 91 Å2
Polarizability: 43.2±0.5 10-24cm3
Surface Tension: 45.4±7.0 dyne/cm
Molar Volume: 315.8±7.0 cm3

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