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

Systemtic Name: 3,5-dimethyl-1-(phenylmethyl)pyrazole-4-carboxylic acid Openeye Name: 1-benzyl-3,5-dimethyl-pyrazole-4-carboxylic acid CAS Name: 3,5-dimethyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-benzyl-3,5-dimethylpyrazole-4-carboxylic acid Traditional Name: 1-benzyl-3,5-dimethyl-pyrazole-4-carboxylic acid Formula: C13H14N2O2 MolecularWeight: 230.26246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)O

InChI

InChI=1S/C13H14N2O2/c1-9-12(13(16)17)10(2)15(14-9)8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,16,17)