ChemSpider 2D Image | 1-[(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-1-oxo-2-propanyl 4-(3-methyl-1-piperidinyl)-3-nitrobenzoate | C27H31N5O6

1-[(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-1-oxo-2-propanyl 4-(3-methyl-1-piperidinyl)-3-nitrobenzoate

  • Molecular FormulaC27H31N5O6
  • Average mass521.565 Da
  • Monoisotopic mass521.227417 Da
  • ChemSpider ID4208670

More details:

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

1-[(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-1-oxo-2-propanyl 4-(3-methyl-1-piperidinyl)-3-nitrobenzoate [ACD/IUPAC Name]
1-[(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-1-oxo-2-propanyl-4-(3-methyl-1-piperidinyl)-3-nitrobenzoat [German] [ACD/IUPAC Name]
4-(3-Méthyl-1-pipéridinyl)-3-nitrobenzoate de 1-[(1,5-diméthyl-3-oxo-2-phényl-2,3-dihydro-1H-pyrazol-4-yl)amino]-1-oxo-2-propanyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-(3-methyl-1-piperidinyl)-3-nitro-, 2-[(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)amino]-1-methyl-2-oxoethyl ester [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.647
Molar Refractivity: 139.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 4.48
ACD/LogD (pH 5.5): 3.48
ACD/BCF (pH 5.5): 260.46
ACD/KOC (pH 5.5): 1865.46
ACD/LogD (pH 7.4): 3.48
ACD/BCF (pH 7.4): 260.36
ACD/KOC (pH 7.4): 1864.74
Polar Surface Area: 128 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 65.5±5.0 dyne/cm
Molar Volume: 384.5±5.0 cm3

Click to predict properties on the Chemicalize site


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