1-(cyclohexylmethyl)-3,5-dimethyl-pyrazole-4-carboxylic acid

Systemtic Name: 1-(cyclohexylmethyl)-3,5-dimethyl-pyrazole-4-carboxylic acid Openeye Name: 1-(cyclohexylmethyl)-3,5-dimethyl-pyrazole-4-carboxylic acid CAS Name: 1-(cyclohexylmethyl)-3,5-dimethyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(cyclohexylmethyl)-3,5-dimethylpyrazole-4-carboxylic acid Traditional Name: 1-(cyclohexylmethyl)-3,5-dimethyl-pyrazole-4-carboxylic acid Formula: C13H20N2O2 MolecularWeight: 236.3101

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2CCCCC2)C)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1CC2CCCCC2)C)C(=O)O

InChI

InChI=1S/C13H20N2O2/c1-9-12(13(16)17)10(2)15(14-9)8-11-6-4-3-5-7-11/h11H,3-8H2,1-2H3,(H,16,17)