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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)O)C)CC2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=NN1C(=O)O)C)CC2=CC=CC=C2

InChI

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