ChemSpider 2D Image | N-[(1-Methyl-3-phenyl-1H-pyrazol-5-yl)carbonyl]-3-(2-naphthyl)-D-alanine | C24H21N3O3

N-[(1-Methyl-3-phenyl-1H-pyrazol-5-yl)carbonyl]-3-(2-naphthyl)-D-alanine

  • Molecular FormulaC24H21N3O3
  • Average mass399.442 Da
  • Monoisotopic mass399.158295 Da
  • ChemSpider ID24646881

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-[(2-methyl-5-phenyl-pyrazol-3-yl)carbonylamino]-3-naphthalen-2-yl-propanoic acid
2-Naphthalenepropanoic acid, α-[[(1-methyl-3-phenyl-1H-pyrazol-5-yl)carbonyl]amino]-, (αR)- [ACD/Index Name]
N-[(1-Methyl-3-phenyl-1H-pyrazol-5-yl)carbonyl]-3-(2-naphthyl)-D-alanin [German] [ACD/IUPAC Name]
N-[(1-Methyl-3-phenyl-1H-pyrazol-5-yl)carbonyl]-3-(2-naphthyl)-D-alanine [ACD/IUPAC Name]
N-[(1-Méthyl-3-phényl-1H-pyrazol-5-yl)carbonyl]-3-(2-naphtyl)-D-alanine [French] [ACD/IUPAC Name]
4FI

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

Density: 1.3±0.1 g/cm3
Boiling Point: 685.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.5±3.0 kJ/mol
Flash Point: 368.1±31.5 °C
Index of Refraction: 1.651
Molar Refractivity: 115.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.23
ACD/LogD (pH 5.5): 1.22
ACD/BCF (pH 5.5): 1.59
ACD/KOC (pH 5.5): 12.40
ACD/LogD (pH 7.4): -0.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 84 Å2
Polarizability: 45.7±0.5 10-24cm3
Surface Tension: 51.2±7.0 dyne/cm
Molar Volume: 315.8±7.0 cm3

Click to predict properties on the Chemicalize site


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