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

(4-{[1-Ethyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]carbonyl}-2-morpholinyl)acetic acid

  • Molecular FormulaC13H16F3N3O4
  • Average mass335.279 Da
  • Monoisotopic mass335.109283 Da
  • ChemSpider ID53720572

More details:

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

(4-{[1-Ethyl-5-(trifluormethyl)-1H-pyrazol-4-yl]carbonyl}-2-morpholinyl)essigsäure [German] [ACD/IUPAC Name]
(4-{[1-Ethyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]carbonyl}-2-morpholinyl)acetic acid [ACD/IUPAC Name]
2-Morpholineacetic acid, 4-[[1-ethyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]carbonyl]- [ACD/Index Name]
Acide (4-{[1-éthyl-5-(trifluorométhyl)-1H-pyrazol-4-yl]carbonyl}-2-morpholinyl)acétique [French] [ACD/IUPAC Name]
{4-[1-ETHYL-5-(TRIFLUOROMETHYL)PYRAZOLE-4-CARBONYL]MORPHOLIN-2-YL}ACETIC ACID
2-{4-[1-ETHYL-5-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBONYL]MORPHOLIN-2-YL}ACETIC 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: 526.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.4±3.0 kJ/mol
Flash Point: 272.5±30.1 °C
Index of Refraction: 1.562
Molar Refractivity: 72.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.14
ACD/LogD (pH 5.5): -0.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.39
ACD/LogD (pH 7.4): -2.61
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: 45.6±7.0 dyne/cm
Molar Volume: 222.7±7.0 cm3

Click to predict properties on the Chemicalize site


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