ChemSpider 2D Image | Ethyl [3-cyclopropyl-6-(4-isopropylphenyl)-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl]acetate | C23H24F3N3O2

Ethyl [3-cyclopropyl-6-(4-isopropylphenyl)-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl]acetate

  • Molecular FormulaC23H24F3N3O2
  • Average mass431.451 Da
  • Monoisotopic mass431.182068 Da
  • ChemSpider ID23722033

More details:

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

[3-Cyclopropyl-6-(4-isopropylphényl)-4-(trifluorométhyl)-1H-pyrazolo[3,4-b]pyridin-1-yl]acétate d'éthyle [French] [ACD/IUPAC Name]
1H-Pyrazolo[3,4-b]pyridine-1-acetic acid, 3-cyclopropyl-6-[4-(1-methylethyl)phenyl]-4-(trifluoromethyl)-, ethyl ester [ACD/Index Name]
Ethyl [3-cyclopropyl-6-(4-isopropylphenyl)-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl]acetate [ACD/IUPAC Name]
Ethyl-[3-cyclopropyl-6-(4-isopropylphenyl)-4-(trifluormethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl]acetat [German] [ACD/IUPAC Name]
[3-Cyclopropyl-6-(4-isopropyl-phenyl)-4-trifluoromethyl-pyrazolo[3,4-b]pyridin-1-yl]-acetic acid ethyl ester
ethyl {3-cyclopropyl-6-[4-(propan-2-yl)phenyl]-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl}acetate
ethyl 2-{3-cyclopropyl-6-[4-(methylethyl)phenyl]-4-(trifluoromethyl)pyrazolo[5,4-b]pyridinyl}acetate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 539.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.7±3.0 kJ/mol
Flash Point: 280.1±30.1 °C
Index of Refraction: 1.596
Molar Refractivity: 110.2±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 6.16
ACD/LogD (pH 5.5): 5.38
ACD/BCF (pH 5.5): 7180.24
ACD/KOC (pH 5.5): 20036.19
ACD/LogD (pH 7.4): 5.38
ACD/BCF (pH 7.4): 7180.26
ACD/KOC (pH 7.4): 20036.25
Polar Surface Area: 57 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 40.0±7.0 dyne/cm
Molar Volume: 324.0±7.0 cm3

Click to predict properties on the Chemicalize site


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