ChemSpider 2D Image | Ethyl 3-{[({1-[2-(cyclopentylamino)-2-oxoethyl]-1H-pyrazol-4-yl}amino)(oxo)acetyl]amino}butanoate | C18H27N5O5

Ethyl 3-{[({1-[2-(cyclopentylamino)-2-oxoethyl]-1H-pyrazol-4-yl}amino)(oxo)acetyl]amino}butanoate

  • Molecular FormulaC18H27N5O5
  • Average mass393.438 Da
  • Monoisotopic mass393.201233 Da
  • ChemSpider ID30412168

More details:

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

3-{[2-({1-[2-(Cyclopentylamino)-2-oxoéthyl]-1H-pyrazol-4-yl}amino)-2-oxoacétyl]amino}butanoate d'éthyle [French] [ACD/IUPAC Name]
Butanoic acid, 3-[[2-[[1-[2-(cyclopentylamino)-2-oxoethyl]-1H-pyrazol-4-yl]amino]-1,2-dioxoethyl]amino]-, ethyl ester [ACD/Index Name]
Ethyl 3-{[({1-[2-(cyclopentylamino)-2-oxoethyl]-1H-pyrazol-4-yl}amino)(oxo)acetyl]amino}butanoate [ACD/IUPAC Name]
Ethyl-3-{[({1-[2-(cyclopentylamino)-2-oxoethyl]-1H-pyrazol-4-yl}amino)(oxo)acetyl]amino}butanoat [German] [ACD/IUPAC Name]
ETHYL 3-[({1-[(CYCLOPENTYLCARBAMOYL)METHYL]-1H-PYRAZOL-4-YL}CARBAMOYL)FORMAMIDO]BUTANOATE
ETHYL 3-[({1-[(CYCLOPENTYLCARBAMOYL)METHYL]PYRAZOL-4-YL}CARBAMOYL)FORMAMIDO]BUTANOATE

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.617
Molar Refractivity: 101.0±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 0.36
ACD/LogD (pH 5.5): 0.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 31.55
ACD/LogD (pH 7.4): 0.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 31.54
Polar Surface Area: 131 Å2
Polarizability: 40.0±0.5 10-24cm3
Surface Tension: 53.2±7.0 dyne/cm
Molar Volume: 288.7±7.0 cm3

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