ChemSpider 2D Image | [5-(Difluoromethyl)-1-isobutyl-1H-pyrazol-4-yl][3-(5-methyl-1H-1,2,4-triazol-3-yl)-1-piperidinyl]methanone | C17H24F2N6O

[5-(Difluoromethyl)-1-isobutyl-1H-pyrazol-4-yl][3-(5-methyl-1H-1,2,4-triazol-3-yl)-1-piperidinyl]methanone

  • Molecular FormulaC17H24F2N6O
  • Average mass366.409 Da
  • Monoisotopic mass366.197968 Da
  • ChemSpider ID63204816

More details:

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

[5-(Difluormethyl)-1-isobutyl-1H-pyrazol-4-yl][3-(5-methyl-1H-1,2,4-triazol-3-yl)-1-piperidinyl]methanon [German] [ACD/IUPAC Name]
[5-(Difluoromethyl)-1-isobutyl-1H-pyrazol-4-yl][3-(5-methyl-1H-1,2,4-triazol-3-yl)-1-piperidinyl]methanone [ACD/IUPAC Name]
[5-(Difluorométhyl)-1-isobutyl-1H-pyrazol-4-yl][3-(5-méthyl-1H-1,2,4-triazol-3-yl)-1-pipéridinyl]méthanone [French] [ACD/IUPAC Name]
Methanone, [5-(difluoromethyl)-1-(2-methylpropyl)-1H-pyrazol-4-yl][3-(5-methyl-1H-1,2,4-triazol-3-yl)-1-piperidinyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 588.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.8±3.0 kJ/mol
Flash Point: 309.7±32.9 °C
Index of Refraction: 1.633
Molar Refractivity: 93.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.43
ACD/LogD (pH 5.5): 1.48
ACD/BCF (pH 5.5): 7.78
ACD/KOC (pH 5.5): 150.25
ACD/LogD (pH 7.4): 1.49
ACD/BCF (pH 7.4): 7.93
ACD/KOC (pH 7.4): 153.17
Polar Surface Area: 80 Å2
Polarizability: 37.0±0.5 10-24cm3
Surface Tension: 44.9±7.0 dyne/cm
Molar Volume: 261.6±7.0 cm3

Click to predict properties on the Chemicalize site


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