1-(4-tert-butylphenyl)-3-(2-methylpropyl)-5-propan-2-yl-pyrazole-4-carboxylic acid

Systemtic Name: 1-(4-tert-butylphenyl)-3-(2-methylpropyl)-5-propan-2-yl-pyrazole-4-carboxylic acid Openeye Name: 1-(4-tert-butylphenyl)-3-isobutyl-5-isopropyl-pyrazole-4-carboxylic acid CAS Name: 1-(4-tert-butylphenyl)-3-(2-methylpropyl)-5-propan-2-yl-4-pyrazolecarboxylic acid IUPAC Name: 1-(4-tert-butylphenyl)-3-(2-methylpropyl)-5-propan-2-ylpyrazole-4-carboxylic acid Traditional Name: 1-(4-tert-butylphenyl)-3-isobutyl-5-isopropyl-pyrazole-4-carboxylic acid Formula: C21H30N2O2 MolecularWeight: 342.4751

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NN(C(=C1C(=O)O)C(C)C)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC(C)CC1=NN(C(=C1C(=O)O)C(C)C)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C21H30N2O2/c1-13(2)12-17-18(20(24)25)19(14(3)4)23(22-17)16-10-8-15(9-11-16)21(5,6)7/h8-11,13-14H,12H2,1-7H3,(H,24,25)