ChemSpider 2D Image | 2-(4-Fluorophenoxy)-1-{3-[2-methyl-3-(1H-1,2,4-triazol-1-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]-1-pyrrolidinyl}ethanone | C22H22FN7O2

2-(4-Fluorophenoxy)-1-{3-[2-methyl-3-(1H-1,2,4-triazol-1-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]-1-pyrrolidinyl}ethanone

  • Molecular FormulaC22H22FN7O2
  • Average mass435.454 Da
  • Monoisotopic mass435.181915 Da
  • ChemSpider ID29962253

More details:

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

2-(4-Fluorophenoxy)-1-{3-[2-methyl-3-(1H-1,2,4-triazol-1-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]-1-pyrrolidinyl}ethanone [ACD/IUPAC Name]
2-(4-Fluorophénoxy)-1-{3-[2-méthyl-3-(1H-1,2,4-triazol-1-ylméthyl)pyrazolo[1,5-a]pyrimidin-7-yl]-1-pyrrolidinyl}éthanone [French] [ACD/IUPAC Name]
2-(4-Fluorphenoxy)-1-{3-[2-methyl-3-(1H-1,2,4-triazol-1-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]-1-pyrrolidinyl}ethanon [German] [ACD/IUPAC Name]
Ethanone, 2-(4-fluorophenoxy)-1-[3-[2-methyl-3-(1H-1,2,4-triazol-1-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]-1-pyrrolidinyl]- [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.707
Molar Refractivity: 117.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.69
ACD/LogD (pH 5.5): 1.34
ACD/BCF (pH 5.5): 6.11
ACD/KOC (pH 5.5): 127.10
ACD/LogD (pH 7.4): 1.34
ACD/BCF (pH 7.4): 6.12
ACD/KOC (pH 7.4): 127.25
Polar Surface Area: 90 Å2
Polarizability: 46.5±0.5 10-24cm3
Surface Tension: 57.5±7.0 dyne/cm
Molar Volume: 300.9±7.0 cm3

Click to predict properties on the Chemicalize site


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