3-(3,5-dimethylpyrazol-1-yl)-4-methyl-benzoic acid

Systemtic Name: 3-(3,5-dimethylpyrazol-1-yl)-4-methyl-benzoic acid Openeye Name: 3-(3,5-dimethylpyrazol-1-yl)-4-methyl-benzoic acid CAS Name: 3-(3,5-dimethyl-1-pyrazolyl)-4-methylbenzoic acid IUPAC Name: 3-(3,5-dimethylpyrazol-1-yl)-4-methylbenzoic acid Traditional Name: 3-(3,5-dimethylpyrazol-1-yl)-4-methyl-benzoic acid Formula: C13H14N2O2 MolecularWeight: 230.26246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)N2C(=CC(=N2)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)N2C(=CC(=N2)C)C

InChI

InChI=1S/C13H14N2O2/c1-8-4-5-11(13(16)17)7-12(8)15-10(3)6-9(2)14-15/h4-7H,1-3H3,(H,16,17)