ChemSpider 2D Image | 4-{[1-Isopropyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]carbonyl}-2-morpholinecarboxylic acid | C13H16F3N3O4

4-{[1-Isopropyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]carbonyl}-2-morpholinecarboxylic acid

  • Molecular FormulaC13H16F3N3O4
  • Average mass335.279 Da
  • Monoisotopic mass335.109283 Da
  • ChemSpider ID53710510

More details:

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

2-Morpholinecarboxylic acid, 4-[[1-(1-methylethyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]carbonyl]- [ACD/Index Name]
4-{[1-Isopropyl-5-(trifluormethyl)-1H-pyrazol-4-yl]carbonyl}-2-morpholincarbonsäure [German] [ACD/IUPAC Name]
4-{[1-Isopropyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]carbonyl}-2-morpholinecarboxylic acid [ACD/IUPAC Name]
Acide 4-{[1-isopropyl-5-(trifluorométhyl)-1H-pyrazol-4-yl]carbonyl}-2-morpholinecarboxylique [French] [ACD/IUPAC Name]
4-[1-(PROPAN-2-YL)-5-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBONYL]MORPHOLINE-2-CARBOXYLIC ACID
4-[1-ISOPROPYL-5-(TRIFLUOROMETHYL)PYRAZOLE-4-CARBONYL]MORPHOLINE-2-CARBOXYLIC ACID

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

Density: 1.5±0.1 g/cm3
Boiling Point: 506.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.7±3.0 kJ/mol
Flash Point: 260.1±30.1 °C
Index of Refraction: 1.563
Molar Refractivity: 72.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.22
ACD/LogD (pH 5.5): -1.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 85 Å2
Polarizability: 28.6±0.5 10-24cm3
Surface Tension: 44.0±7.0 dyne/cm
Molar Volume: 221.9±7.0 cm3

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