ChemSpider 2D Image | 5-(2-Chloro-4-fluorobenzyl)-2-(4-fluorophenyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrazin-4(5H)-one | C20H14ClF2N3O2

5-(2-Chloro-4-fluorobenzyl)-2-(4-fluorophenyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrazin-4(5H)-one

  • Molecular FormulaC20H14ClF2N3O2
  • Average mass401.794 Da
  • Monoisotopic mass401.074249 Da
  • ChemSpider ID35301657

More details:

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

5-(2-Chlor-4-fluorbenzyl)-2-(4-fluorphenyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrazin-4(5H)-on [German] [ACD/IUPAC Name]
5-(2-Chloro-4-fluorobenzyl)-2-(4-fluorophenyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrazin-4(5H)-one [ACD/IUPAC Name]
5-(2-Chloro-4-fluorobenzyl)-2-(4-fluorophényl)-3-(hydroxyméthyl)pyrazolo[1,5-a]pyrazin-4(5H)-one [French] [ACD/IUPAC Name]
Pyrazolo[1,5-a]pyrazin-4(5H)-one, 5-[(2-chloro-4-fluorophenyl)methyl]-2-(4-fluorophenyl)-3-(hydroxymethyl)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 543.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.5±3.0 kJ/mol
Flash Point: 282.4±30.1 °C
Index of Refraction: 1.656
Molar Refractivity: 101.5±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.20
ACD/LogD (pH 5.5): 2.63
ACD/BCF (pH 5.5): 58.74
ACD/KOC (pH 5.5): 642.46
ACD/LogD (pH 7.4): 2.63
ACD/BCF (pH 7.4): 58.74
ACD/KOC (pH 7.4): 642.46
Polar Surface Area: 58 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 50.3±7.0 dyne/cm
Molar Volume: 276.3±7.0 cm3

Click to predict properties on the Chemicalize site


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