ChemSpider 2D Image | (4-{1-Isopropyl-3-[3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazol-5-yl}-1-piperidinyl)acetonitrile | C21H23F3N6

(4-{1-Isopropyl-3-[3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazol-5-yl}-1-piperidinyl)acetonitrile

  • Molecular FormulaC21H23F3N6
  • Average mass416.443 Da
  • Monoisotopic mass416.193634 Da
  • ChemSpider ID58957231

More details:

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

(4-{1-Isopropyl-3-[3-(trifluormethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazol-5-yl}-1-piperidinyl)acetonitril [German] [ACD/IUPAC Name]
(4-{1-Isopropyl-3-[3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazol-5-yl}-1-piperidinyl)acetonitrile [ACD/IUPAC Name]
(4-{1-Isopropyl-3-[3-(trifluorométhyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazol-5-yl}-1-pipéridinyl)acétonitrile [French] [ACD/IUPAC Name]
1-Piperidineacetonitrile, 4-[1-(1-methylethyl)-3-[3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazol-5-yl]- [ACD/Index 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: 581.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.0±3.0 kJ/mol
Flash Point: 305.7±30.1 °C
Index of Refraction: 1.635
Molar Refractivity: 107.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.68
ACD/LogD (pH 5.5): 2.80
ACD/BCF (pH 5.5): 72.65
ACD/KOC (pH 5.5): 679.39
ACD/LogD (pH 7.4): 2.94
ACD/BCF (pH 7.4): 101.36
ACD/KOC (pH 7.4): 947.91
Polar Surface Area: 74 Å2
Polarizability: 42.8±0.5 10-24cm3
Surface Tension: 45.2±7.0 dyne/cm
Molar Volume: 301.2±7.0 cm3

Click to predict properties on the Chemicalize site


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