ChemSpider 2D Image | N-(6,7-Dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]-3-pyrrolidinecarboxamide | C17H19F3N6O

N-(6,7-Dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]-3-pyrrolidinecarboxamide

  • Molecular FormulaC17H19F3N6O
  • Average mass380.368 Da
  • Monoisotopic mass380.157257 Da
  • ChemSpider ID35067307

More details:

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

3-Pyrrolidinecarboxamide, N-[(6,7-dihydro-5H-pyrrolo[2,1-c]-1,2,4-triazol-3-yl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]- [ACD/Index Name]
N-(6,7-Dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-[5-(trifluormethyl)-2-pyridinyl]-3-pyrrolidincarboxamid [German] [ACD/IUPAC Name]
N-(6,7-Dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]-3-pyrrolidinecarboxamide [ACD/IUPAC Name]
N-(6,7-Dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylméthyl)-1-[5-(trifluorométhyl)-2-pyridinyl]-3-pyrrolidinecarboxamide [French] [ACD/IUPAC Name]
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-[5-(trifluoromethyl)pyridin-2-yl]pyrrolidine-3-carboxamide

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.677
Molar Refractivity: 91.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.71
ACD/LogD (pH 5.5): 1.50
ACD/BCF (pH 5.5): 7.88
ACD/KOC (pH 5.5): 147.00
ACD/LogD (pH 7.4): 1.55
ACD/BCF (pH 7.4): 8.94
ACD/KOC (pH 7.4): 166.88
Polar Surface Area: 76 Å2
Polarizability: 36.4±0.5 10-24cm3
Surface Tension: 53.6±7.0 dyne/cm
Molar Volume: 243.9±7.0 cm3

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