Found 1 result

Search term: BOVHHDLOWQJHGE-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N-[4-Cyano-2-ethyl-5-(trifluoromethyl)phenyl]-5-methyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazole-5-carboxamide | C16H14F6N4O

N-[4-Cyano-2-ethyl-5-(trifluoromethyl)phenyl]-5-methyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazole-5-carboxamide

  • Molecular FormulaC16H14F6N4O
  • Average mass392.299 Da
  • Monoisotopic mass392.107178 Da
  • ChemSpider ID23288047

More details:

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

1H-Pyrazole-5-carboxamide, N-[4-cyano-2-ethyl-5-(trifluoromethyl)phenyl]-4,5-dihydro-5-methyl-3-(trifluoromethyl)- [ACD/Index Name]
N-[4-Cyan-2-ethyl-5-(trifluormethyl)phenyl]-5-methyl-3-(trifluormethyl)-4,5-dihydro-1H-pyrazol-5-carboxamid [German] [ACD/IUPAC Name]
N-[4-Cyano-2-ethyl-5-(trifluoromethyl)phenyl]-5-methyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazole-5-carboxamide [ACD/IUPAC Name]
N-[4-Cyano-2-éthyl-5-(trifluorométhyl)phényl]-5-méthyl-3-(trifluorométhyl)-4,5-dihydro-1H-pyrazole-5-carboxamide [French] [ACD/IUPAC Name]
3-methyl-5-trifluoromethyl-3,4-dihydro-2H-pyrazole-3-carboxylic acid (4-cyano-2-ethyl-5-trifluoromethyl-phenyl)-amide
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL389974/

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: 1.524
Molar Refractivity: 83.6±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.28
ACD/LogD (pH 5.5): 4.67
ACD/BCF (pH 5.5): 2095.55
ACD/KOC (pH 5.5): 8298.16
ACD/LogD (pH 7.4): 4.67
ACD/BCF (pH 7.4): 2095.48
ACD/KOC (pH 7.4): 8297.86
Polar Surface Area: 77 Å2
Polarizability: 33.1±0.5 10-24cm3
Surface Tension: 35.3±7.0 dyne/cm
Molar Volume: 273.0±7.0 cm3

Click to predict properties on the Chemicalize site


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