3-tert-butyl-1-(2-methylphenyl)pyrazole-4-carboxylic acid

Systemtic Name: 3-tert-butyl-1-(2-methylphenyl)pyrazole-4-carboxylic acid Openeye Name: 3-tert-butyl-1-(o-tolyl)pyrazole-4-carboxylic acid CAS Name: 3-tert-butyl-1-(2-methylphenyl)-4-pyrazolecarboxylic acid IUPAC Name: 3-tert-butyl-1-(2-methylphenyl)pyrazole-4-carboxylic acid Traditional Name: 3-tert-butyl-1-(o-tolyl)pyrazole-4-carboxylic acid Formula: C15H18N2O2 MolecularWeight: 258.31562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C=C(C(=N2)C(C)(C)C)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1N2C=C(C(=N2)C(C)(C)C)C(=O)O

InChI

InChI=1S/C15H18N2O2/c1-10-7-5-6-8-12(10)17-9-11(14(18)19)13(16-17)15(2,3)4/h5-9H,1-4H3,(H,18,19)