ChemSpider 2D Image | 4-{[2-(1,4-Dioxan-2-ylmethyl)-3,3,3-trifluoropropanoyl]amino}-1-methyl-1H-pyrazole-3-carboxamide (non-preferred name) | C13H17F3N4O4

4-{[2-(1,4-Dioxan-2-ylmethyl)-3,3,3-trifluoropropanoyl]amino}-1-methyl-1H-pyrazole-3-carboxamide (non-preferred name)

  • Molecular FormulaC13H17F3N4O4
  • Average mass350.294 Da
  • Monoisotopic mass350.120178 Da
  • ChemSpider ID64096781

More details:

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

4-{[2-(1,4-Dioxan-2-ylmethyl)-3,3,3-trifluoropropanoyl]amino}-1-methyl-1H-pyrazole-3-carboxamide (non-preferred name) [ACD/IUPAC Name]
4-{[2-(1,4-Dioxan-2-ylméthyl)-3,3,3-trifluoropropanoyl]amino}-1-méthyl-1H-pyrazole-3-carboxamide (non-preferred name) [French] [ACD/IUPAC Name]
4-{[2-(1,4-Dioxan-2-ylmethyl)-3,3,3-trifluorpropanoyl]amino}-1-methyl-1H-pyrazol-3-carboxamid (non-preferred name) [German] [ACD/IUPAC 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: 556.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.8±3.0 kJ/mol
Flash Point: 290.5±30.1 °C
Index of Refraction: 1.577
Molar Refractivity: 73.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -1.24
ACD/LogD (pH 5.5): -0.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.96
ACD/LogD (pH 7.4): -0.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 13.96
Polar Surface Area: 108 Å2
Polarizability: 29.2±0.5 10-24cm3
Surface Tension: 47.7±7.0 dyne/cm
Molar Volume: 222.6±7.0 cm3

Click to predict properties on the Chemicalize site


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