ChemSpider 2D Image | Ethyl 5-(2,6-difluorobenzyl)-1-[2-(dimethylamino)ethyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylate | C20H26F2N4O2

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

  • Molecular FormulaC20H26F2N4O2
  • Average mass392.443 Da
  • Monoisotopic mass392.202393 Da
  • ChemSpider ID22155643

More details:

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

1H-Pyrazolo[4,3-c]pyridine-3-carboxylic acid, 5-[(2,6-difluorophenyl)methyl]-1-[2-(dimethylamino)ethyl]-4,5,6,7-tetrahydro-, ethyl ester [ACD/Index Name]
5-(2,6-Difluorobenzyl)-1-[2-(diméthylamino)éthyl]-4,5,6,7-tétrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-(2,6-difluorobenzyl)-1-[2-(dimethylamino)ethyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylate [ACD/IUPAC Name]
Ethyl-5-(2,6-difluorbenzyl)-1-[2-(dimethylamino)ethyl]-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: 1.3±0.1 g/cm3
Boiling Point: 497.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.5±3.0 kJ/mol
Flash Point: 254.4±28.7 °C
Index of Refraction: 1.575
Molar Refractivity: 103.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.05
ACD/LogD (pH 5.5): 0.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.26
ACD/LogD (pH 7.4): 1.67
ACD/BCF (pH 7.4): 4.91
ACD/KOC (pH 7.4): 42.28
Polar Surface Area: 51 Å2
Polarizability: 41.0±0.5 10-24cm3
Surface Tension: 40.0±7.0 dyne/cm
Molar Volume: 312.9±7.0 cm3

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