ChemSpider 2D Image | N-[4-Chloro-2-(1H-pyrrol-2-ylcarbonyl)phenyl]-3-(4-nitro-1H-pyrazol-1-yl)propanamide | C17H14ClN5O4

N-[4-Chloro-2-(1H-pyrrol-2-ylcarbonyl)phenyl]-3-(4-nitro-1H-pyrazol-1-yl)propanamide

  • Molecular FormulaC17H14ClN5O4
  • Average mass387.777 Da
  • Monoisotopic mass387.073425 Da
  • ChemSpider ID30389700

More details:

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

1H-Pyrazole-1-propanamide, N-[4-chloro-2-(1H-pyrrol-2-ylcarbonyl)phenyl]-4-nitro- [ACD/Index Name]
N-[4-Chlor-2-(1H-pyrrol-2-ylcarbonyl)phenyl]-3-(4-nitro-1H-pyrazol-1-yl)propanamid [German] [ACD/IUPAC Name]
N-[4-Chloro-2-(1H-pyrrol-2-ylcarbonyl)phenyl]-3-(4-nitro-1H-pyrazol-1-yl)propanamide [ACD/IUPAC Name]
N-[4-Chloro-2-(1H-pyrrol-2-ylcarbonyl)phényl]-3-(4-nitro-1H-pyrazol-1-yl)propanamide [French] [ACD/IUPAC Name]
N-[4-CHLORO-2-(1H-PYRROLE-2-CARBONYL)PHENYL]-3-(4-NITRO-1H-PYRAZOL-1-YL)PROPANAMIDE
N-[4-CHLORO-2-(1H-PYRROLE-2-CARBONYL)PHENYL]-3-(4-NITROPYRAZOL-1-YL)PROPANAMIDE

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

Density: 1.5±0.1 g/cm3
Boiling Point: 710.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.9±3.0 kJ/mol
Flash Point: 383.5±32.9 °C
Index of Refraction: 1.699
Molar Refractivity: 98.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.03
ACD/LogD (pH 5.5): 2.74
ACD/BCF (pH 5.5): 71.30
ACD/KOC (pH 5.5): 738.00
ACD/LogD (pH 7.4): 2.74
ACD/BCF (pH 7.4): 71.30
ACD/KOC (pH 7.4): 738.00
Polar Surface Area: 126 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 65.7±7.0 dyne/cm
Molar Volume: 254.8±7.0 cm3

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