3-(2,4,6-trimethylphenyl)-1H-pyrazole-5-carboxylic acid

Systemtic Name: 3-(2,4,6-trimethylphenyl)-1H-pyrazole-5-carboxylic acid Openeye Name: 3-(2,4,6-trimethylphenyl)-1H-pyrazole-5-carboxylic acid CAS Name: 3-(2,4,6-trimethylphenyl)-1H-pyrazole-5-carboxylic acid IUPAC Name: 3-(2,4,6-trimethylphenyl)-1H-pyrazole-5-carboxylic acid Traditional Name: 3-mesityl-1H-pyrazole-5-carboxylic acid Formula: C13H14N2O2 MolecularWeight: 230.26246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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