Found 48 results

Search term: MF = 'C_{13}H_{17}F_{3}N_{4}O_{4}'
ChemSpider 2D Image | 3-{(3R,4R)-3-Hydroxy-4-[(1-methyl-1H-pyrazol-4-yl)oxy]-1-pyrrolidinyl}-3-oxo-N-(2,2,2-trifluoroethyl)propanamide | C13H17F3N4O4

3-{(3R,4R)-3-Hydroxy-4-[(1-methyl-1H-pyrazol-4-yl)oxy]-1-pyrrolidinyl}-3-oxo-N-(2,2,2-trifluoroethyl)propanamide

  • Molecular FormulaC13H17F3N4O4
  • Average mass350.294 Da
  • Monoisotopic mass350.120178 Da
  • ChemSpider ID65194746

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-Pyrrolidinepropanamide, 3-hydroxy-4-[(1-methyl-1H-pyrazol-4-yl)oxy]-β-oxo-N-(2,2,2-trifluoroethyl)-, (3R,4R)- [ACD/Index Name]
3-{(3R,4R)-3-Hydroxy-4-[(1-methyl-1H-pyrazol-4-yl)oxy]-1-pyrrolidinyl}-3-oxo-N-(2,2,2-trifluorethyl)propanamid [German] [ACD/IUPAC Name]
3-{(3R,4R)-3-Hydroxy-4-[(1-methyl-1H-pyrazol-4-yl)oxy]-1-pyrrolidinyl}-3-oxo-N-(2,2,2-trifluoroethyl)propanamide [ACD/IUPAC Name]
3-{(3R,4R)-3-Hydroxy-4-[(1-méthyl-1H-pyrazol-4-yl)oxy]-1-pyrrolidinyl}-3-oxo-N-(2,2,2-trifluoroéthyl)propanamide [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 583.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.8±3.0 kJ/mol
Flash Point: 306.8±30.1 °C
Index of Refraction: 1.576
Molar Refractivity: 75.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -1.43
ACD/LogD (pH 5.5): -0.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.07
ACD/LogD (pH 7.4): -0.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.90
Polar Surface Area: 97 Å2
Polarizability: 29.8±0.5 10-24cm3
Surface Tension: 48.0±7.0 dyne/cm
Molar Volume: 227.4±7.0 cm3

Click to predict properties on the Chemicalize site


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