ChemSpider 2D Image | 1-Benzyl-6-(2,5-dimethoxyphenyl)-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine | C23H20F3N3O2

1-Benzyl-6-(2,5-dimethoxyphenyl)-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine

  • Molecular FormulaC23H20F3N3O2
  • Average mass427.419 Da
  • Monoisotopic mass427.150757 Da
  • ChemSpider ID21760726

More details:

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

1-Benzyl-6-(2,5-dimethoxyphenyl)-3-methyl-4-(trifluormethyl)-1H-pyrazolo[3,4-b]pyridin [German] [ACD/IUPAC Name]
1-Benzyl-6-(2,5-dimethoxyphenyl)-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine [ACD/IUPAC Name]
1-Benzyl-6-(2,5-diméthoxyphényl)-3-méthyl-4-(trifluorométhyl)-1H-pyrazolo[3,4-b]pyridine [French] [ACD/IUPAC Name]
1H-Pyrazolo[3,4-b]pyridine, 6-(2,5-dimethoxyphenyl)-3-methyl-1-(phenylmethyl)-4-(trifluoromethyl)- [ACD/Index Name]
1,4-dimethoxy-2-[3-methyl-1-benzyl-4-(trifluoromethyl)pyrazolo[4,5-e]pyridin-6-yl]benzene
1-Benzyl-6-(2,5-dimethoxy-phenyl)-3-methyl-4-trifluoromethyl-1H-pyrazolo[3,4-b]pyridine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 549.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.8±3.0 kJ/mol
Flash Point: 286.1±30.1 °C
Index of Refraction: 1.579
Molar Refractivity: 110.8±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.00
ACD/LogD (pH 5.5): 5.17
ACD/BCF (pH 5.5): 5003.94
ACD/KOC (pH 5.5): 15472.46
ACD/LogD (pH 7.4): 5.17
ACD/BCF (pH 7.4): 5003.96
ACD/KOC (pH 7.4): 15472.55
Polar Surface Area: 49 Å2
Polarizability: 43.9±0.5 10-24cm3
Surface Tension: 38.2±7.0 dyne/cm
Molar Volume: 333.2±7.0 cm3

Click to predict properties on the Chemicalize site


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