5-(2,4,6-trimethylphenyl)-1H-pyrazole-4-carboxylic acid

Systemtic Name: 5-(2,4,6-trimethylphenyl)-1H-pyrazole-4-carboxylic acid Openeye Name: 5-(2,4,6-trimethylphenyl)-1H-pyrazole-4-carboxylic acid CAS Name: 5-(2,4,6-trimethylphenyl)-1H-pyrazole-4-carboxylic acid IUPAC Name: 5-(2,4,6-trimethylphenyl)-1H-pyrazole-4-carboxylic acid Traditional Name: 5-mesityl-1H-pyrazole-4-carboxylic acid Formula: C13H14N2O2 MolecularWeight: 230.26246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C2=C(C=NN2)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C2=C(C=NN2)C(=O)O)C

InChI

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