ChemSpider 2D Image | N-{1-[(4-Bromo-2-thienyl)methyl]-1H-pyrazol-5-yl}-3-isobutoxypropanamide | C15H20BrN3O2S

N-{1-[(4-Bromo-2-thienyl)methyl]-1H-pyrazol-5-yl}-3-isobutoxypropanamide

  • Molecular FormulaC15H20BrN3O2S
  • Average mass386.307 Da
  • Monoisotopic mass385.045959 Da
  • ChemSpider ID30513557

More details:

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

N-{1-[(4-Brom-2-thienyl)methyl]-1H-pyrazol-5-yl}-3-isobutoxypropanamid [German] [ACD/IUPAC Name]
N-{1-[(4-Bromo-2-thienyl)methyl]-1H-pyrazol-5-yl}-3-isobutoxypropanamide [ACD/IUPAC Name]
N-{1-[(4-Bromo-2-thiényl)méthyl]-1H-pyrazol-5-yl}-3-isobutoxypropanamide [French] [ACD/IUPAC Name]
Propanamide, N-[1-[(4-bromo-2-thienyl)methyl]-1H-pyrazol-5-yl]-3-(2-methylpropoxy)- [ACD/Index Name]
N-{1-[(4-BROMOTHIOPHEN-2-YL)METHYL]-1H-PYRAZOL-5-YL}-3-(2-METHYLPROPOXY)PROPANAMIDE
N-{2-[(4-BROMOTHIOPHEN-2-YL)METHYL]PYRAZOL-3-YL}-3-(2-METHYLPROPOXY)PROPANAMIDE

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

Density: 1.5±0.1 g/cm3
Boiling Point: 560.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.3±3.0 kJ/mol
Flash Point: 292.7±30.1 °C
Index of Refraction: 1.622
Molar Refractivity: 93.9±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.14
ACD/LogD (pH 5.5): 3.28
ACD/BCF (pH 5.5): 181.62
ACD/KOC (pH 5.5): 1441.07
ACD/LogD (pH 7.4): 3.28
ACD/BCF (pH 7.4): 181.66
ACD/KOC (pH 7.4): 1441.42
Polar Surface Area: 84 Å2
Polarizability: 37.2±0.5 10-24cm3
Surface Tension: 47.8±7.0 dyne/cm
Molar Volume: 266.4±7.0 cm3

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