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Search term: RSPIKPFHLPIDKV-WOJBJXKFSA-N (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 1-[3'-(Dimethylcarbamoyl)-3-biphenylyl]-5-[2-(1-methyl-1H-1,2,3-triazol-4-yl)cyclopropyl]-1H-pyrazole-4-carboxylic acid | C25H24N6O3

1-[3'-(Dimethylcarbamoyl)-3-biphenylyl]-5-[2-(1-methyl-1H-1,2,3-triazol-4-yl)cyclopropyl]-1H-pyrazole-4-carboxylic acid

  • Molecular FormulaC25H24N6O3
  • Average mass456.496 Da
  • Monoisotopic mass456.190979 Da
  • ChemSpider ID129266222

More details:

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

1-[3'-(Dimethylcarbamoyl)-3-biphenylyl]-5-[2-(1-methyl-1H-1,2,3-triazol-4-yl)cyclopropyl]-1H-pyrazol-4-carbonsäure [German] [ACD/IUPAC Name]
1-[3'-(Dimethylcarbamoyl)-3-biphenylyl]-5-[2-(1-methyl-1H-1,2,3-triazol-4-yl)cyclopropyl]-1H-pyrazole-4-carboxylic acid [ACD/IUPAC Name]
1H-Pyrazole-4-carboxylic acid, 1-[3'-[(dimethylamino)carbonyl][1,1'-biphenyl]-3-yl]-5-[2-(1-methyl-1H-1,2,3-triazol-4-yl)cyclopropyl]- [ACD/Index Name]
Acide 1-[3'-(diméthylcarbamoyl)-3-biphénylyl]-5-[2-(1-méthyl-1H-1,2,3-triazol-4-yl)cyclopropyl]-1H-pyrazole-4-carboxylique [French] [ACD/IUPAC 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: 723.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.9±3.0 kJ/mol
Flash Point: 391.3±35.7 °C
Index of Refraction: 1.710
Molar Refractivity: 128.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.94
ACD/LogD (pH 5.5): 1.18
ACD/BCF (pH 5.5): 2.08
ACD/KOC (pH 5.5): 22.46
ACD/LogD (pH 7.4): -0.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 106 Å2
Polarizability: 50.8±0.5 10-24cm3
Surface Tension: 57.3±7.0 dyne/cm
Molar Volume: 327.8±7.0 cm3

Click to predict properties on the Chemicalize site


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