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Predicted properties of the compound entered.

ID ABUARXLSYIKABB-UHFFFAOYSA-N
Formula C30H22Cl2F3N5O
IUPAC Name 4-[5-amino-4-(3,5-dichlorophenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]-2-methyl-N-[(4-phenylpyridin-2-yl)methyl]benzamide
SMILES
Standard InChI
Standard InChIKey
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Other Names and Identifiers
Standard InChI (User Input) InChI=1S/C30H22Cl2F3N5O/c1-17-11-24(40-28(36)26(27(39-40)30(33,34)35)20-12-21(31)15-22(32)13-20)7-8-25(17)29(41)38-16-23-14-19(9-10-37-23)18-5-3-2-4-6-18/h2-15H,16,36H2,1H3,(H,38,41)
Standard InChIKey (User Input) InChIKey=ABUARXLSYIKABB-UHFFFAOYSA-N
Non-Standard InChI
Non-Standard InChIKey
Other Names and Identifiers
For more property data (~2,100 data sets per compound) with higher accuracy , try our new database.
Mol-Instincts Database
 
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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Additional Information Link
1H NMR prediction -
13C NMR prediction -
COSY -
HSQC/HMBC prediction -
All prediction -