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Predicted properties of the compound entered.

ID GENXXMGHMKXQKV-UHFFFAOYSA-N
Formula C26H22ClF3N8O2
IUPAC Name 1-(2-chlorophenyl)-N-{4-cyano-2-methyl-6-[(propan-2-yl)carbamoyl]phenyl}-3-{[4-(trifluoromethyl)-1H-1,2,3-triazol-1-yl]methyl}-1H-pyrazole-5-carboxamide
SMILES
Standard InChI
Standard InChIKey
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Other Names and Identifiers
Standard InChI (User Input) InChI=1S/C26H22ClF3N8O2/c1-14(2)32-24(39)18-9-16(11-31)8-15(3)23(18)33-25(40)21-10-17(12-37-13-22(34-36-37)26(28,29)30)35-38(21)20-7-5-4-6-19(20)27/h4-10,13-14H,12H2,1-3H3,(H,32,39)(H,33,40)
Standard InChIKey (User Input) InChIKey=GENXXMGHMKXQKV-UHFFFAOYSA-N
Non-Standard InChI
Non-Standard InChIKey
Other Names and Identifiers
This prediction is based on QSPR only and is the first basic approximate estimation.
For more property data (~2,100 data sets per compound) with higher accuracy , try our new database.
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Property Value Unit Accuracy
Absolute Entropy of Ideal Gas at 298.15K and 1bar - - -
Acentric Factor - - -
Critical Compressibility Factor - - -
Critical Pressure - - -
Critical Temperature - - -
Critical Volume - - -
Enthalpy of Formation for Ideal Gas at 298.15K - - -
Liquid Molar Volume at 298.15K - - -
Molecular Weight - - -
Net Standard State Enthalpy of Combustion at 298.15K - - -
Normal Boiling Point - - -
Melting Point - - -
Refractive Index - - -
Solubility Parameter at 298.15K - - -
Standard State Absolute Entropy at 298.15K and 1bar - - -
Standard State Enthalpy of Formation at 298.15K and 1bar - - -
Magnetic Susceptibility - - -
Polarizability - - -
Flash Point - - -
Parachor - - -
Lower Flammability Limit Temperature - - -
Lower Flammability Limit Volume Percent - - -
Upper Flammability Limit Temperature - - -
Upper Flammability Limit Volume Percent - - -
Liquid Density at Normal Boiling Point - - -
Heat of Vaporization at 298.15K - - -
Heat of Vaporization at Normal Boiling Point - - -
Water Solubility - - -
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1H NMR prediction -
13C NMR prediction -
COSY -
HSQC/HMBC prediction -
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