ChemSpider 2D Image | (3S,4S)-1-({1-[3-Methyl-1-(2-methyl-2-propanyl)-1H-pyrazol-4-yl]ethyl}carbamoyl)-4-(trifluoromethyl)-3-pyrrolidinecarboxylic acid | C17H25F3N4O3

(3S,4S)-1-({1-[3-Methyl-1-(2-methyl-2-propanyl)-1H-pyrazol-4-yl]ethyl}carbamoyl)-4-(trifluoromethyl)-3-pyrrolidinecarboxylic acid

  • Molecular FormulaC17H25F3N4O3
  • Average mass390.401 Da
  • Monoisotopic mass390.187866 Da
  • ChemSpider ID57895964

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(3S,4S)-1-({1-[3-Methyl-1-(2-methyl-2-propanyl)-1H-pyrazol-4-yl]ethyl}carbamoyl)-4-(trifluormethyl)-3-pyrrolidincarbonsäure [German] [ACD/IUPAC Name]
(3S,4S)-1-({1-[3-Methyl-1-(2-methyl-2-propanyl)-1H-pyrazol-4-yl]ethyl}carbamoyl)-4-(trifluoromethyl)-3-pyrrolidinecarboxylic acid [ACD/IUPAC Name]
3-Pyrrolidinecarboxylic acid, 1-[[[1-[1-(1,1-dimethylethyl)-3-methyl-1H-pyrazol-4-yl]ethyl]amino]carbonyl]-4-(trifluoromethyl)-, (3S,4S)- [ACD/Index Name]
Acide (3S,4S)-1-({1-[3-méthyl-1-(2-méthyl-2-propanyl)-1H-pyrazol-4-yl]éthyl}carbamoyl)-4-(trifluorométhyl)-3-pyrrolidinecarboxylique [French] [ACD/IUPAC 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: 558.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.5±3.0 kJ/mol
Flash Point: 291.7±30.1 °C
Index of Refraction: 1.555
Molar Refractivity: 92.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.93
ACD/LogD (pH 5.5): 0.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.49
ACD/LogD (pH 7.4): -1.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 87 Å2
Polarizability: 36.5±0.5 10-24cm3
Surface Tension: 39.3±7.0 dyne/cm
Molar Volume: 287.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement