4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]benzoic acid

Systemtic Name: 4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]benzoic acid Openeye Name: 4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]benzoic acid CAS Name: 4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]benzoic acid IUPAC Name: 4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]benzoic acid Traditional Name: 4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]benzoic acid Formula: C13H14N2O2 MolecularWeight: 230.26246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)CC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1)C)CC2=CC=C(C=C2)C(=O)O

InChI

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