ChemSpider 2D Image | 2-Methyl-2-propanyl 4-[4-{[4-(2,5-dimethylphenyl)-1-piperazinyl]carbonyl}-1-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1-piperidinecarboxylate | C33H43N5O4

2-Methyl-2-propanyl 4-[4-{[4-(2,5-dimethylphenyl)-1-piperazinyl]carbonyl}-1-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1-piperidinecarboxylate

  • Molecular FormulaC33H43N5O4
  • Average mass573.726 Da
  • Monoisotopic mass573.331482 Da
  • ChemSpider ID13152778

More details:

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

1-Piperidinecarboxylic acid, 4-[4-[[4-(2,5-dimethylphenyl)-1-piperazinyl]carbonyl]-1-(4-methoxyphenyl)-1H-pyrazol-5-yl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-[4-{[4-(2,5-dimethylphenyl)-1-piperazinyl]carbonyl}-1-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-[4-{[4-(2,5-dimethylphenyl)-1-piperazinyl]carbonyl}-1-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1-piperidincarboxylat [German] [ACD/IUPAC Name]
4-[4-{[4-(2,5-Diméthylphényl)-1-pipérazinyl]carbonyl}-1-(4-méthoxyphényl)-1H-pyrazol-5-yl]-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 722.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.5±3.0 kJ/mol
Flash Point: 390.7±32.9 °C
Index of Refraction: 1.609
Molar Refractivity: 164.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.17
ACD/LogD (pH 5.5): 4.87
ACD/BCF (pH 5.5): 2952.13
ACD/KOC (pH 5.5): 10595.52
ACD/LogD (pH 7.4): 4.87
ACD/BCF (pH 7.4): 2961.47
ACD/KOC (pH 7.4): 10629.05
Polar Surface Area: 80 Å2
Polarizability: 65.3±0.5 10-24cm3
Surface Tension: 44.7±7.0 dyne/cm
Molar Volume: 475.9±7.0 cm3

Click to predict properties on the Chemicalize site


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