Predicted properties of the compound entered.

ID QJHSACIKBBCXMM-PWLTZZKVSA-N
Formula C22H24ClN5O2
IUPAC Name ethyl (2Z)-3-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)-2-cyano-3-{[(2R)-1-(1H-indol-2-yl)propan-2-yl]amino}prop-2-enoate
SMILES
Standard InChI
Standard InChIKey
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Other Names and Identifiers
Standard InChI (User Input) InChI=1S/C22H24ClN5O2/c1-5-30-22(29)17(12-24)20(19-14(3)27-28(4)21(19)23)25-13(2)10-16-11-15-8-6-7-9-18(15)26-16/h6-9,11,13,25-26H,5,10H2,1-4H3/b20-17-/t13-/m1/s1
Standard InChIKey (User Input) InChIKey=QJHSACIKBBCXMM-PWLTZZKVSA-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 -
HSQC/HMBC prediction -
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