ChemSpider 2D Image | 3,6-Dimethyl-1-propyl-N'-[(Z)-{4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]phenyl}methylene]-1H-pyrazolo[3,4-b]pyridine-4-carbohydrazide | C22H21F6N5O3

3,6-Dimethyl-1-propyl-N'-[(Z)-{4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]phenyl}methylene]-1H-pyrazolo[3,4-b]pyridine-4-carbohydrazide

  • Molecular FormulaC22H21F6N5O3
  • Average mass517.424 Da
  • Monoisotopic mass517.154846 Da
  • ChemSpider ID100818309

  • Double-bond stereo - Double-bond stereo

More details:

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

1H-Pyrazolo[3,4-b]pyridine-4-carboxylic acid, 3,6-dimethyl-1-propyl-, 2-[(1Z)-[4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]phenyl]methylene]hydrazide [ACD/Index Name]
3,6-Dimethyl-1-propyl-N'-[(Z)-{4-[1,1,2-trifluor-2-(trifluormethoxy)ethoxy]phenyl}methylen]-1H-pyrazolo[3,4-b]pyridin-4-carbohydrazid [German] [ACD/IUPAC Name]
3,6-Dimethyl-1-propyl-N'-[(Z)-{4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]phenyl}methylene]-1H-pyrazolo[3,4-b]pyridine-4-carbohydrazide [ACD/IUPAC Name]
3,6-Diméthyl-1-propyl-N'-[(Z)-{4-[1,1,2-trifluoro-2-(trifluorométhoxy)éthoxy]phényl}méthylène]-1H-pyrazolo[3,4-b]pyridine-4-carbohydrazide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.545
Molar Refractivity: 115.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.15
ACD/LogD (pH 5.5): 4.62
ACD/BCF (pH 5.5): 1917.32
ACD/KOC (pH 5.5): 7785.03
ACD/LogD (pH 7.4): 4.62
ACD/BCF (pH 7.4): 1913.24
ACD/KOC (pH 7.4): 7768.45
Polar Surface Area: 91 Å2
Polarizability: 45.9±0.5 10-24cm3
Surface Tension: 37.3±7.0 dyne/cm
Molar Volume: 366.1±7.0 cm3

Click to predict properties on the Chemicalize site


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