ChemSpider 2D Image | Ethyl 5-(2-pyridinylcarbonyl)-1-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylate | C18H19F3N4O3

Ethyl 5-(2-pyridinylcarbonyl)-1-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylate

  • Molecular FormulaC18H19F3N4O3
  • Average mass396.364 Da
  • Monoisotopic mass396.140930 Da
  • ChemSpider ID22241927

More details:

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

1H-Pyrazolo[4,3-c]pyridine-3-carboxylic acid, 4,5,6,7-tetrahydro-5-(2-pyridinylcarbonyl)-1-(3,3,3-trifluoropropyl)-, ethyl ester [ACD/Index Name]
5-(2-Pyridinylcarbonyl)-1-(3,3,3-trifluoropropyl)-4,5,6,7-tétrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-(2-pyridinylcarbonyl)-1-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylate [ACD/IUPAC Name]
Ethyl-5-(2-pyridinylcarbonyl)-1-(3,3,3-trifluorpropyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 555.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.7±3.0 kJ/mol
Flash Point: 289.6±30.1 °C
Index of Refraction: 1.588
Molar Refractivity: 94.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.88
ACD/LogD (pH 5.5): 1.82
ACD/BCF (pH 5.5): 14.19
ACD/KOC (pH 5.5): 232.28
ACD/LogD (pH 7.4): 1.82
ACD/BCF (pH 7.4): 14.20
ACD/KOC (pH 7.4): 232.46
Polar Surface Area: 77 Å2
Polarizability: 37.6±0.5 10-24cm3
Surface Tension: 45.2±7.0 dyne/cm
Molar Volume: 282.0±7.0 cm3

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