ChemSpider 2D Image | 1-[4-(Cyanomethyl)-1-(2,2-difluoropropanoyl)-4-piperidinyl]-3-[(2-fluoro-4-pyridinyl)amino]-1H-pyrazole-4-carboxamide | C19H20F3N7O2

1-[4-(Cyanomethyl)-1-(2,2-difluoropropanoyl)-4-piperidinyl]-3-[(2-fluoro-4-pyridinyl)amino]-1H-pyrazole-4-carboxamide

  • Molecular FormulaC19H20F3N7O2
  • Average mass435.403 Da
  • Monoisotopic mass435.163055 Da
  • ChemSpider ID61730949

More details:

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

1-[4-(Cyanmethyl)-1-(2,2-difluorpropanoyl)-4-piperidinyl]-3-[(2-fluor-4-pyridinyl)amino]-1H-pyrazol-4-carboxamid [German] [ACD/IUPAC Name]
1-[4-(Cyanomethyl)-1-(2,2-difluoropropanoyl)-4-piperidinyl]-3-[(2-fluoro-4-pyridinyl)amino]-1H-pyrazole-4-carboxamide [ACD/IUPAC Name]
1-[4-(Cyanométhyl)-1-(2,2-difluoropropanoyl)-4-pipéridinyl]-3-[(2-fluoro-4-pyridinyl)amino]-1H-pyrazole-4-carboxamide [French] [ACD/IUPAC Name]
1H-Pyrazole-4-carboxamide, 1-[4-(cyanomethyl)-1-(2,2-difluoro-1-oxopropyl)-4-piperidinyl]-3-[(2-fluoro-4-pyridinyl)amino]- [ACD/Index 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: 732.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.8±3.0 kJ/mol
Flash Point: 396.6±32.9 °C
Index of Refraction: 1.634
Molar Refractivity: 105.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.16
ACD/LogD (pH 5.5): 1.69
ACD/BCF (pH 5.5): 11.38
ACD/KOC (pH 5.5): 198.48
ACD/LogD (pH 7.4): 1.69
ACD/BCF (pH 7.4): 11.39
ACD/KOC (pH 7.4): 198.49
Polar Surface Area: 130 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 53.9±7.0 dyne/cm
Molar Volume: 295.1±7.0 cm3

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