ChemSpider 2D Image | Methyl 4-[3-(3,4-difluorophenyl)-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxobutanoate | C17H17F2N3O3

Methyl 4-[3-(3,4-difluorophenyl)-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxobutanoate

  • Molecular FormulaC17H17F2N3O3
  • Average mass349.332 Da
  • Monoisotopic mass349.123810 Da
  • ChemSpider ID23982156

More details:






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

4-[3-(3,4-Difluorophényl)-2,4,6,7-tétrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxobutanoate de méthyle [French] [ACD/IUPAC Name]
5H-Pyrazolo[4,3-c]pyridine-5-butanoic acid, 3-(3,4-difluorophenyl)-2,4,6,7-tetrahydro-γ-oxo-, methyl ester [ACD/Index Name]
Methyl 4-[3-(3,4-difluorophenyl)-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxobutanoate [ACD/IUPAC Name]
Methyl-4-[3-(3,4-difluorphenyl)-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxobutanoat [German] [ACD/IUPAC Name]
methyl 4-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxobutanoate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 604.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.9±3.0 kJ/mol
Flash Point: 319.4±31.5 °C
Index of Refraction: 1.568
Molar Refractivity: 84.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.95
ACD/LogD (pH 5.5): 2.22
ACD/BCF (pH 5.5): 28.48
ACD/KOC (pH 5.5): 382.65
ACD/LogD (pH 7.4): 2.22
ACD/BCF (pH 7.4): 28.48
ACD/KOC (pH 7.4): 382.66
Polar Surface Area: 75 Å2
Polarizability: 33.3±0.5 10-24cm3
Surface Tension: 53.2±3.0 dyne/cm
Molar Volume: 256.8±3.0 cm3

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