ChemSpider 2D Image | 3-Iodo-N-{1-[2-(methylamino)-2-oxoethyl]-1H-pyrazol-4-yl}benzamide | C13H13IN4O2

3-Iodo-N-{1-[2-(methylamino)-2-oxoethyl]-1H-pyrazol-4-yl}benzamide

  • Molecular FormulaC13H13IN4O2
  • Average mass384.172 Da
  • Monoisotopic mass384.008301 Da
  • ChemSpider ID69037031

More details:

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

1H-Pyrazole-1-acetamide, 4-[(3-iodobenzoyl)amino]-N-methyl- [ACD/Index Name]
3-Iod-N-{1-[2-(methylamino)-2-oxoethyl]-1H-pyrazol-4-yl}benzamid [German] [ACD/IUPAC Name]
3-Iodo-N-{1-[2-(methylamino)-2-oxoethyl]-1H-pyrazol-4-yl}benzamide [ACD/IUPAC Name]
3-Iodo-N-{1-[2-(méthylamino)-2-oxoéthyl]-1H-pyrazol-4-yl}benzamide [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 501.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.0±3.0 kJ/mol
Flash Point: 256.8±27.3 °C
Index of Refraction: 1.691
Molar Refractivity: 84.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.11
ACD/LogD (pH 5.5): 1.65
ACD/BCF (pH 5.5): 10.63
ACD/KOC (pH 5.5): 189.01
ACD/LogD (pH 7.4): 1.65
ACD/BCF (pH 7.4): 10.63
ACD/KOC (pH 7.4): 189.02
Polar Surface Area: 76 Å2
Polarizability: 33.6±0.5 10-24cm3
Surface Tension: 56.6±7.0 dyne/cm
Molar Volume: 221.1±7.0 cm3

Click to predict properties on the Chemicalize site


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