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Predicted properties of the compound entered.

ID QJWHXMIIAHZWAY-UHFFFAOYSA-N
Formula C25H18ClF5N10O3
IUPAC Name 1-(3-chloropyridin-2-yl)-N-{4-cyano-2-methyl-6-[(oxetan-3-yl)carbamoyl]phenyl}-3-{[5-(1,1,2,2,2-pentafluoroethyl)-2H-1,2,3,4-tetrazol-2-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/C25H18ClF5N10O3/c1-12-5-13(8-32)6-16(21(42)34-15-10-44-11-15)19(12)35-22(43)18-7-14(37-41(18)20-17(26)3-2-4-33-20)9-40-38-23(36-39-40)24(27,28)25(29,30)31/h2-7,15H,9-11H2,1H3,(H,34,42)(H,35,43)
Standard InChIKey (User Input) InChIKey=QJWHXMIIAHZWAY-UHFFFAOYSA-N
Non-Standard InChI
Non-Standard InChIKey
Other Names and Identifiers
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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 -
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