ChemSpider 2D Image | 1-[3-(2,2-Difluoro-1,3-benzodioxol-5-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-4-(dimethylamino)-1-butanone | C19H22F2N4O3

1-[3-(2,2-Difluoro-1,3-benzodioxol-5-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-4-(dimethylamino)-1-butanone

  • Molecular FormulaC19H22F2N4O3
  • Average mass392.400 Da
  • Monoisotopic mass392.165985 Da
  • ChemSpider ID22503336

More details:

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

1-[3-(2,2-Difluor-1,3-benzodioxol-5-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-4-(dimethylamino)-1-butanon [German] [ACD/IUPAC Name]
1-[3-(2,2-Difluoro-1,3-benzodioxol-5-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-4-(dimethylamino)-1-butanone [ACD/IUPAC Name]
1-[3-(2,2-Difluoro-1,3-benzodioxol-5-yl)-1,4,6,7-tétrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-4-(diméthylamino)-1-butanone [French] [ACD/IUPAC Name]
1-Butanone, 1-[3-(2,2-difluoro-1,3-benzodioxol-5-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-4-(dimethylamino)- [ACD/Index Name]
4-[3-(2,2-difluoro-1,3-benzodioxol-5-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-N,N-dimethyl-4-oxobutan-1-amine

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

Density: 1.4±0.1 g/cm3
Boiling Point: 582.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.0±3.0 kJ/mol
Flash Point: 305.9±30.1 °C
Index of Refraction: 1.612
Molar Refractivity: 97.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.85
ACD/LogD (pH 5.5): -0.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.60
Polar Surface Area: 71 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 61.6±5.0 dyne/cm
Molar Volume: 279.1±5.0 cm3

Click to predict properties on the Chemicalize site


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