ChemSpider 2D Image | 3-[3-(Hydroxymethyl)-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-N,N-dimethyl-1-propanesulfonamide | C13H24N4O3S

3-[3-(Hydroxymethyl)-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-N,N-dimethyl-1-propanesulfonamide

  • Molecular FormulaC13H24N4O3S
  • Average mass316.420 Da
  • Monoisotopic mass316.156921 Da
  • ChemSpider ID35081976

More details:






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

3-[3-(Hydroxymethyl)-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-N,N-dimethyl-1-propanesulfonamide [ACD/IUPAC Name]
3-[3-(Hydroxyméthyl)-1-méthyl-1,4,6,7-tétrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-N,N-diméthyl-1-propanesulfonamide [French] [ACD/IUPAC Name]
3-[3-(Hydroxymethyl)-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-N,N-dimethyl-1-propansulfonamid [German] [ACD/IUPAC Name]
5H-Pyrazolo[4,3-c]pyridine-5-propanesulfonamide, 1,4,6,7-tetrahydro-3-(hydroxymethyl)-N,N,1-trimethyl- [ACD/Index Name]
3-[3-(hydroxymethyl)-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-N,N-dimethylpropane-1-sulfonamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 507.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.9±3.0 kJ/mol
Flash Point: 260.9±32.9 °C
Index of Refraction: 1.612
Molar Refractivity: 82.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.86
ACD/LogD (pH 5.5): -2.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.29
Polar Surface Area: 87 Å2
Polarizability: 32.6±0.5 10-24cm3
Surface Tension: 50.9±7.0 dyne/cm
Molar Volume: 237.0±7.0 cm3

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