ChemSpider 2D Image | 5-Chloro-N-{2,5-diethoxy-4-[(4-methoxybenzoyl)amino]phenyl}-3-methyl-1-phenyl-1H-pyrazole-4-carboxamide | C29H29ClN4O5

5-Chloro-N-{2,5-diethoxy-4-[(4-methoxybenzoyl)amino]phenyl}-3-methyl-1-phenyl-1H-pyrazole-4-carboxamide

  • Molecular FormulaC29H29ClN4O5
  • Average mass549.017 Da
  • Monoisotopic mass548.182678 Da
  • ChemSpider ID968088

More details:

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

1H-Pyrazole-4-carboxamide, 5-chloro-N-[2,5-diethoxy-4-[(4-methoxybenzoyl)amino]phenyl]-3-methyl-1-phenyl- [ACD/Index Name]
5-Chlor-N-{2,5-diethoxy-4-[(4-methoxybenzoyl)amino]phenyl}-3-methyl-1-phenyl-1H-pyrazol-4-carboxamid [German] [ACD/IUPAC Name]
5-Chloro-N-{2,5-diethoxy-4-[(4-methoxybenzoyl)amino]phenyl}-3-methyl-1-phenyl-1H-pyrazole-4-carboxamide [ACD/IUPAC Name]
5-Chloro-N-{2,5-diéthoxy-4-[(4-méthoxybenzoyl)amino]phényl}-3-méthyl-1-phényl-1H-pyrazole-4-carboxamide [French] [ACD/IUPAC Name]

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

ASN 03433265 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 613.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.1±3.0 kJ/mol
Flash Point: 324.9±31.5 °C
Index of Refraction: 1.610
Molar Refractivity: 148.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.38
ACD/LogD (pH 5.5): 5.27
ACD/BCF (pH 5.5): 5960.32
ACD/KOC (pH 5.5): 17533.39
ACD/LogD (pH 7.4): 5.27
ACD/BCF (pH 7.4): 5952.18
ACD/KOC (pH 7.4): 17509.46
Polar Surface Area: 104 Å2
Polarizability: 59.0±0.5 10-24cm3
Surface Tension: 45.6±7.0 dyne/cm
Molar Volume: 429.4±7.0 cm3

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