3-tert-butyl-1-(2,5-dimethylphenyl)pyrazole-4-carboxylic acid

Systemtic Name: 3-tert-butyl-1-(2,5-dimethylphenyl)pyrazole-4-carboxylic acid Openeye Name: 3-tert-butyl-1-(2,5-dimethylphenyl)pyrazole-4-carboxylic acid CAS Name: 3-tert-butyl-1-(2,5-dimethylphenyl)-4-pyrazolecarboxylic acid IUPAC Name: 3-tert-butyl-1-(2,5-dimethylphenyl)pyrazole-4-carboxylic acid Traditional Name: 3-tert-butyl-1-(2,5-dimethylphenyl)pyrazole-4-carboxylic acid Formula: C16H20N2O2 MolecularWeight: 272.3422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C=C(C(=N2)C(C)(C)C)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C=C(C(=N2)C(C)(C)C)C(=O)O

InChI

InChI=1S/C16H20N2O2/c1-10-6-7-11(2)13(8-10)18-9-12(15(19)20)14(17-18)16(3,4)5/h6-9H,1-5H3,(H,19,20)