ChemSpider 2D Image | Ethyl 4-{5-[(3-methylbutanoyl)amino]-1H-pyrazol-1-yl}-1,4'-bipiperidine-1'-carboxylate | C21H35N5O3

Ethyl 4-{5-[(3-methylbutanoyl)amino]-1H-pyrazol-1-yl}-1,4'-bipiperidine-1'-carboxylate

  • Molecular FormulaC21H35N5O3
  • Average mass405.534 Da
  • Monoisotopic mass405.273987 Da
  • ChemSpider ID23054073

More details:

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

[1,4'-Bipiperidine]-1'-carboxylic acid, 4-[5-[(3-methyl-1-oxobutyl)amino]-1H-pyrazol-1-yl]-, ethyl ester [ACD/Index Name]
4-{5-[(3-Méthylbutanoyl)amino]-1H-pyrazol-1-yl}-1,4'-bipipéridine-1'-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-{5-[(3-methylbutanoyl)amino]-1H-pyrazol-1-yl}-1,4'-bipiperidine-1'-carboxylate [ACD/IUPAC Name]
Ethyl-4-{5-[(3-methylbutanoyl)amino]-1H-pyrazol-1-yl}-1,4'-bipiperidin-1'-carboxylat [German] [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: 591.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.3±3.0 kJ/mol
Flash Point: 311.8±30.1 °C
Index of Refraction: 1.606
Molar Refractivity: 112.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.34
ACD/LogD (pH 5.5): -0.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.48
ACD/LogD (pH 7.4): 1.57
ACD/BCF (pH 7.4): 5.95
ACD/KOC (pH 7.4): 74.61
Polar Surface Area: 80 Å2
Polarizability: 44.5±0.5 10-24cm3
Surface Tension: 46.8±7.0 dyne/cm
Molar Volume: 325.2±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement