ChemSpider 2D Image | N-(2-Iminoethyl)-3-methyl-Nalpha-{[1-methyl-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]carbonyl}-L-phenylalaninamide | C21H29N5O2

N-(2-Iminoethyl)-3-methyl-Nα-{[1-methyl-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]carbonyl}-L-phenylalaninamide

  • Molecular FormulaC21H29N5O2
  • Average mass383.487 Da
  • Monoisotopic mass383.232117 Da
  • ChemSpider ID26328294
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

1H-Pyrazole-5-carboxamide, 3-(1,1-dimethylethyl)-N-[(1S)-2-[(2-iminoethyl)amino]-1-[(3-methylphenyl)methyl]-2-oxoethyl]-1-methyl- [ACD/Index Name]
N-(2-Iminoethyl)-3-methyl-Nα-{[1-methyl-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]carbonyl}-L-phenylalaninamid [German] [ACD/IUPAC Name]
N-(2-Iminoethyl)-3-methyl-Nα-{[1-methyl-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]carbonyl}-L-phenylalaninamide [ACD/IUPAC Name]
N-(2-Iminoéthyl)-3-méthyl-Nα-{[1-méthyl-3-(2-méthyl-2-propanyl)-1H-pyrazol-5-yl]carbonyl}-L-phénylalaninamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.583
Molar Refractivity: 110.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.55
ACD/LogD (pH 5.5): 0.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.87
ACD/LogD (pH 7.4): 1.53
ACD/BCF (pH 7.4): 5.13
ACD/KOC (pH 7.4): 61.69
Polar Surface Area: 100 Å2
Polarizability: 43.8±0.5 10-24cm3
Surface Tension: 42.5±7.0 dyne/cm
Molar Volume: 330.8±7.0 cm3

Click to predict properties on the Chemicalize site






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