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Search term: NWRGKEXTHLEOQX-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | Methyl 1-(2-phenylethyl)-4-[(3-phenylpropanoyl)amino]-1H-pyrazole-3-carboxylate | C22H23N3O3

Methyl 1-(2-phenylethyl)-4-[(3-phenylpropanoyl)amino]-1H-pyrazole-3-carboxylate

  • Molecular FormulaC22H23N3O3
  • Average mass377.436 Da
  • Monoisotopic mass377.173950 Da
  • ChemSpider ID30818614

More details:

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

1-(2-Phényléthyl)-4-[(3-phénylpropanoyl)amino]-1H-pyrazole-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
1021498-01-0 [RN]
1H-Pyrazole-3-carboxylic acid, 4-[(1-oxo-3-phenylpropyl)amino]-1-(2-phenylethyl)-, methyl ester [ACD/Index Name]
Methyl 1-(2-phenylethyl)-4-[(3-phenylpropanoyl)amino]-1H-pyrazole-3-carboxylate [ACD/IUPAC Name]
Methyl 4-[(1-oxo-3-phenylpropyl)amino]-1-(2-phenylethyl)-1H-pyrazole-3-carboxylate
Methyl-1-(2-phenylethyl)-4-[(3-phenylpropanoyl)amino]-1H-pyrazol-3-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 619.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.8±3.0 kJ/mol
Flash Point: 328.2±31.5 °C
Index of Refraction: 1.595
Molar Refractivity: 109.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.22
ACD/LogD (pH 5.5): 4.20
ACD/BCF (pH 5.5): 922.41
ACD/KOC (pH 5.5): 4612.02
ACD/LogD (pH 7.4): 4.20
ACD/BCF (pH 7.4): 922.41
ACD/KOC (pH 7.4): 4612.03
Polar Surface Area: 73 Å2
Polarizability: 43.3±0.5 10-24cm3
Surface Tension: 45.8±7.0 dyne/cm
Molar Volume: 321.5±7.0 cm3

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