ChemSpider 2D Image | 2-Methyl-2-propanyl 4-{4-[4-(ethoxycarbonyl)-5-(trifluoromethyl)-1H-pyrazol-1-yl]benzoyl}-1-piperazinecarboxylate | C23H27F3N4O5

2-Methyl-2-propanyl 4-{4-[4-(ethoxycarbonyl)-5-(trifluoromethyl)-1H-pyrazol-1-yl]benzoyl}-1-piperazinecarboxylate

  • Molecular FormulaC23H27F3N4O5
  • Average mass496.479 Da
  • Monoisotopic mass496.193359 Da
  • ChemSpider ID29998259

More details:

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

1-Piperazinecarboxylic acid, 4-[4-[4-(ethoxycarbonyl)-5-(trifluoromethyl)-1H-pyrazol-1-yl]benzoyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-{4-[4-(ethoxycarbonyl)-5-(trifluoromethyl)-1H-pyrazol-1-yl]benzoyl}-1-piperazinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-{4-[4-(ethoxycarbonyl)-5-(trifluormethyl)-1H-pyrazol-1-yl]benzoyl}-1-piperazincarboxylat [German] [ACD/IUPAC Name]
4-{4-[4-(Éthoxycarbonyl)-5-(trifluorométhyl)-1H-pyrazol-1-yl]benzoyl}-1-pipérazinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
TERT-BUTYL 4-{4-[4-(ETHOXYCARBONYL)-5-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZOYL}PIPERAZINE-1-CARBOXYLATE
TERT-BUTYL 4-{4-[4-(ETHOXYCARBONYL)-5-(TRIFLUOROMETHYL)PYRAZOL-1-YL]BENZOYL}PIPERAZINE-1-CARBOXYLATE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 594.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.6±3.0 kJ/mol
Flash Point: 313.1±30.1 °C
Index of Refraction: 1.560
Molar Refractivity: 121.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.26
ACD/LogD (pH 5.5): 3.36
ACD/BCF (pH 5.5): 209.28
ACD/KOC (pH 5.5): 1595.08
ACD/LogD (pH 7.4): 3.36
ACD/BCF (pH 7.4): 209.28
ACD/KOC (pH 7.4): 1595.09
Polar Surface Area: 94 Å2
Polarizability: 48.0±0.5 10-24cm3
Surface Tension: 42.3±7.0 dyne/cm
Molar Volume: 374.7±7.0 cm3

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