1-(3,5-dimethylphenyl)-5-ethyl-pyrazole-3-carboxylic acid

Systemtic Name: 1-(3,5-dimethylphenyl)-5-ethyl-pyrazole-3-carboxylic acid Openeye Name: 1-(3,5-dimethylphenyl)-5-ethyl-pyrazole-3-carboxylic acid CAS Name: 1-(3,5-dimethylphenyl)-5-ethyl-3-pyrazolecarboxylic acid IUPAC Name: 1-(3,5-dimethylphenyl)-5-ethylpyrazole-3-carboxylic acid Traditional Name: 1-(3,5-dimethylphenyl)-5-ethyl-pyrazole-3-carboxylic acid Formula: C14H16N2O2 MolecularWeight: 244.28904

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NN1C2=CC(=CC(=C2)C)C)C(=O)O

Isomeric SMILES

CCC1=CC(=NN1C2=CC(=CC(=C2)C)C)C(=O)O

InChI

InChI=1S/C14H16N2O2/c1-4-11-8-13(14(17)18)15-16(11)12-6-9(2)5-10(3)7-12/h5-8H,4H2,1-3H3,(H,17,18)