ChemSpider 2D Image | 5-(2-Chloro-6-fluorobenzyl)-4-oxo-N-(2-oxo-3-azepanyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide | C20H21ClFN5O3

5-(2-Chloro-6-fluorobenzyl)-4-oxo-N-(2-oxo-3-azepanyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

  • Molecular FormulaC20H21ClFN5O3
  • Average mass433.864 Da
  • Monoisotopic mass433.131683 Da
  • ChemSpider ID29233389

More details:

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

5-(2-Chlor-6-fluorbenzyl)-4-oxo-N-(2-oxo-3-azepanyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-carboxamid [German] [ACD/IUPAC Name]
5-(2-Chloro-6-fluorobenzyl)-4-oxo-N-(2-oxo-3-azepanyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide [ACD/IUPAC Name]
5-(2-Chloro-6-fluorobenzyl)-4-oxo-N-(2-oxo-3-azépanyl)-4,5,6,7-tétrahydropyrazolo[1,5-a]pyrazine-2-carboxamide [French] [ACD/IUPAC Name]
Pyrazolo[1,5-a]pyrazine-2-carboxamide, 5-[(2-chloro-6-fluorophenyl)methyl]-N-(hexahydro-2-oxo-1H-azepin-3-yl)-4,5,6,7-tetrahydro-4-oxo- [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: 748.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.0±3.0 kJ/mol
Flash Point: 406.2±32.9 °C
Index of Refraction: 1.703
Molar Refractivity: 108.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -2.16
ACD/LogD (pH 5.5): 0.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 32.87
ACD/LogD (pH 7.4): 0.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 32.87
Polar Surface Area: 96 Å2
Polarizability: 43.1±0.5 10-24cm3
Surface Tension: 60.5±7.0 dyne/cm
Molar Volume: 280.1±7.0 cm3

Click to predict properties on the Chemicalize site


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