ChemSpider 2D Image | Ethyl 5-(pentanoylamino)-1-[2-(pentanoyloxy)ethyl]-1H-pyrazole-4-carboxylate | C18H29N3O5

Ethyl 5-(pentanoylamino)-1-[2-(pentanoyloxy)ethyl]-1H-pyrazole-4-carboxylate

  • Molecular FormulaC18H29N3O5
  • Average mass367.440 Da
  • Monoisotopic mass367.210724 Da
  • ChemSpider ID22470427

More details:

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

1H-Pyrazole-4-carboxylic acid, 5-[(1-oxopentyl)amino]-1-[2-[(1-oxopentyl)oxy]ethyl]-, ethyl ester [ACD/Index Name]
5-(Pentanoylamino)-1-[2-(pentanoyloxy)éthyl]-1H-pyrazole-4-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-(pentanoylamino)-1-[2-(pentanoyloxy)ethyl]-1H-pyrazole-4-carboxylate [ACD/IUPAC Name]
Ethyl-5-(pentanoylamino)-1-[2-(pentanoyloxy)ethyl]-1H-pyrazol-4-carboxylat [German] [ACD/IUPAC Name]
ETHYL 5-PENTANAMIDO-1-[2-(PENTANOYLOXY)ETHYL]-1H-PYRAZOLE-4-CARBOXYLATE
ETHYL 5-PENTANAMIDO-1-[2-(PENTANOYLOXY)ETHYL]PYRAZOLE-4-CARBOXYLATE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 547.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.7±3.0 kJ/mol
Flash Point: 285.2±28.7 °C
Index of Refraction: 1.531
Molar Refractivity: 97.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 0
ACD/LogP: 4.68
ACD/LogD (pH 5.5): 3.97
ACD/BCF (pH 5.5): 614.13
ACD/KOC (pH 5.5): 3446.96
ACD/LogD (pH 7.4): 3.97
ACD/BCF (pH 7.4): 614.13
ACD/KOC (pH 7.4): 3446.97
Polar Surface Area: 100 Å2
Polarizability: 38.8±0.5 10-24cm3
Surface Tension: 41.2±7.0 dyne/cm
Molar Volume: 316.2±7.0 cm3

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