ChemSpider 2D Image | (1-Ethyl-1H-pyrazol-5-yl){4-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-1,2,3-triazol-1-yl]-1-piperidinyl}methanone | C21H22N8O2

(1-Ethyl-1H-pyrazol-5-yl){4-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-1,2,3-triazol-1-yl]-1-piperidinyl}methanone

  • Molecular FormulaC21H22N8O2
  • Average mass418.452 Da
  • Monoisotopic mass418.186584 Da
  • ChemSpider ID35299789

More details:

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

(1-Ethyl-1H-pyrazol-5-yl){4-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-1,2,3-triazol-1-yl]-1-piperidinyl}methanon [German] [ACD/IUPAC Name]
(1-Ethyl-1H-pyrazol-5-yl){4-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-1,2,3-triazol-1-yl]-1-piperidinyl}methanone [ACD/IUPAC Name]
(1-Éthyl-1H-pyrazol-5-yl){4-[4-(3-phényl-1,2,4-oxadiazol-5-yl)-1H-1,2,3-triazol-1-yl]-1-pipéridinyl}méthanone [French] [ACD/IUPAC Name]
Methanone, (1-ethyl-1H-pyrazol-5-yl)[4-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-1,2,3-triazol-1-yl]-1-piperidinyl]- [ACD/Index Name]
1-[(1-ethyl-1H-pyrazol-5-yl)carbonyl]-4-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-1,2,3-triazol-1-yl]piperidine

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

Density: 1.5±0.1 g/cm3
Boiling Point: 683.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.3±3.0 kJ/mol
Flash Point: 367.3±34.3 °C
Index of Refraction: 1.741
Molar Refractivity: 115.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 0.53
ACD/LogD (pH 5.5): 1.65
ACD/BCF (pH 5.5): 10.56
ACD/KOC (pH 5.5): 188.05
ACD/LogD (pH 7.4): 1.65
ACD/BCF (pH 7.4): 10.56
ACD/KOC (pH 7.4): 188.06
Polar Surface Area: 108 Å2
Polarizability: 45.9±0.5 10-24cm3
Surface Tension: 63.7±7.0 dyne/cm
Molar Volume: 286.7±7.0 cm3

Click to predict properties on the Chemicalize site


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