ChemSpider 2D Image | 1-{[5-(2-Chloro-6-fluorobenzyl)-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]carbonyl}-3-piperidinecarboxamide | C20H21ClFN5O3

1-{[5-(2-Chloro-6-fluorobenzyl)-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]carbonyl}-3-piperidinecarboxamide

  • Molecular FormulaC20H21ClFN5O3
  • Average mass433.864 Da
  • Monoisotopic mass433.131683 Da
  • ChemSpider ID22760407

More details:

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

1-{[5-(2-Chlor-6-fluorbenzyl)-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]carbonyl}-3-piperidincarboxamid [German] [ACD/IUPAC Name]
1-{[5-(2-Chloro-6-fluorobenzyl)-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]carbonyl}-3-piperidinecarboxamide [ACD/IUPAC Name]
1-{[5-(2-Chloro-6-fluorobenzyl)-4-oxo-4,5,6,7-tétrahydropyrazolo[1,5-a]pyrazin-2-yl]carbonyl}-3-pipéridinecarboxamide [French] [ACD/IUPAC Name]
3-Piperidinecarboxamide, 1-[[5-[(2-chloro-6-fluorophenyl)methyl]-4,5,6,7-tetrahydro-4-oxopyrazolo[1,5-a]pyrazin-2-yl]carbonyl]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 745.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.7±3.0 kJ/mol
Flash Point: 404.9±32.9 °C
Index of Refraction: 1.707
Molar Refractivity: 108.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -2.53
ACD/LogD (pH 5.5): 0.40
ACD/BCF (pH 5.5): 1.19
ACD/KOC (pH 5.5): 39.37
ACD/LogD (pH 7.4): 0.40
ACD/BCF (pH 7.4): 1.19
ACD/KOC (pH 7.4): 39.37
Polar Surface Area: 102 Å2
Polarizability: 43.0±0.5 10-24cm3
Surface Tension: 62.6±7.0 dyne/cm
Molar Volume: 278.2±7.0 cm3

Click to predict properties on the Chemicalize site


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