ChemSpider 2D Image | 2-Methyl-2-propanyl 4-{4-[(3-methoxypropyl)carbamoyl]-1-(4-nitrophenyl)-1H-pyrazol-5-yl}-1-piperidinecarboxylate | C24H33N5O6

2-Methyl-2-propanyl 4-{4-[(3-methoxypropyl)carbamoyl]-1-(4-nitrophenyl)-1H-pyrazol-5-yl}-1-piperidinecarboxylate

  • Molecular FormulaC24H33N5O6
  • Average mass487.549 Da
  • Monoisotopic mass487.243073 Da
  • ChemSpider ID22480252

More details:

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

1-Piperidinecarboxylic acid, 4-[4-[[(3-methoxypropyl)amino]carbonyl]-1-(4-nitrophenyl)-1H-pyrazol-5-yl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-{4-[(3-methoxypropyl)carbamoyl]-1-(4-nitrophenyl)-1H-pyrazol-5-yl}-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-{4-[(3-methoxypropyl)carbamoyl]-1-(4-nitrophenyl)-1H-pyrazol-5-yl}-1-piperidincarboxylat [German] [ACD/IUPAC Name]
4-{4-[(3-Méthoxypropyl)carbamoyl]-1-(4-nitrophényl)-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: 1.3±0.1 g/cm3
Boiling Point: 657.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.7±3.0 kJ/mol
Flash Point: 351.2±31.5 °C
Index of Refraction: 1.599
Molar Refractivity: 129.5±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 2.92
ACD/LogD (pH 5.5): 3.24
ACD/BCF (pH 5.5): 171.01
ACD/KOC (pH 5.5): 1380.33
ACD/LogD (pH 7.4): 3.24
ACD/BCF (pH 7.4): 169.31
ACD/KOC (pH 7.4): 1366.65
Polar Surface Area: 132 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 49.4±7.0 dyne/cm
Molar Volume: 378.7±7.0 cm3

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