1-tert-butyl-3-(4-propylphenyl)pyrazole-4-carboxylic acid

Systemtic Name: 1-tert-butyl-3-(4-propylphenyl)pyrazole-4-carboxylic acid Openeye Name: 1-tert-butyl-3-(4-propylphenyl)pyrazole-4-carboxylic acid CAS Name: 1-tert-butyl-3-(4-propylphenyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-tert-butyl-3-(4-propylphenyl)pyrazole-4-carboxylic acid Traditional Name: 1-tert-butyl-3-(4-propylphenyl)pyrazole-4-carboxylic acid Formula: C17H22N2O2 MolecularWeight: 286.36878

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C2=NN(C=C2C(=O)O)C(C)(C)C

Isomeric SMILES

CCCC1=CC=C(C=C1)C2=NN(C=C2C(=O)O)C(C)(C)C

InChI

InChI=1S/C17H22N2O2/c1-5-6-12-7-9-13(10-8-12)15-14(16(20)21)11-19(18-15)17(2,3)4/h7-11H,5-6H2,1-4H3,(H,20,21)