ChemSpider 2D Image | Methyl [4-(difluoromethyl)-6-(1-ethyl-1H-pyrazol-4-yl)-3-methyl-1H-pyrazolo[3,4-b]pyridin-1-yl]acetate | C16H17F2N5O2

Methyl [4-(difluoromethyl)-6-(1-ethyl-1H-pyrazol-4-yl)-3-methyl-1H-pyrazolo[3,4-b]pyridin-1-yl]acetate

  • Molecular FormulaC16H17F2N5O2
  • Average mass349.335 Da
  • Monoisotopic mass349.135040 Da
  • ChemSpider ID21760907

More details:

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

[4-(Difluorométhyl)-6-(1-éthyl-1H-pyrazol-4-yl)-3-méthyl-1H-pyrazolo[3,4-b]pyridin-1-yl]acétate de méthyle [French] [ACD/IUPAC Name]
1H-Pyrazolo[3,4-b]pyridine-1-acetic acid, 4-(difluoromethyl)-6-(1-ethyl-1H-pyrazol-4-yl)-3-methyl-, methyl ester [ACD/Index Name]
Methyl [4-(difluoromethyl)-6-(1-ethyl-1H-pyrazol-4-yl)-3-methyl-1H-pyrazolo[3,4-b]pyridin-1-yl]acetate [ACD/IUPAC Name]
Methyl-[4-(difluormethyl)-6-(1-ethyl-1H-pyrazol-4-yl)-3-methyl-1H-pyrazolo[3,4-b]pyridin-1-yl]acetat [German] [ACD/IUPAC Name]
[4-Difluoromethyl-6-(1-ethyl-1H-pyrazol-4-yl)-3-methyl-pyrazolo[3,4-b]pyridin-1-yl]-acetic acid methyl ester
methyl 2-[4-(difluoromethyl)-6-(1-ethylpyrazol-4-yl)-3-methylpyrazolo[5,4-b]pyridinyl]acetate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 534.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.1±3.0 kJ/mol
Flash Point: 277.0±30.1 °C
Index of Refraction: 1.622
Molar Refractivity: 87.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.77
ACD/LogD (pH 5.5): 2.14
ACD/BCF (pH 5.5): 24.89
ACD/KOC (pH 5.5): 347.40
ACD/LogD (pH 7.4): 2.14
ACD/BCF (pH 7.4): 24.89
ACD/KOC (pH 7.4): 347.41
Polar Surface Area: 75 Å2
Polarizability: 34.5±0.5 10-24cm3
Surface Tension: 44.3±7.0 dyne/cm
Molar Volume: 247.3±7.0 cm3

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