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

Systemtic Name: 1-(4-tert-butylphenyl)-3-(2,2-dimethylpropyl)-5-propan-2-yl-pyrazole-4-carboxylic acid Openeye Name: 1-(4-tert-butylphenyl)-3-(2,2-dimethylpropyl)-5-isopropyl-pyrazole-4-carboxylic acid CAS Name: 1-(4-tert-butylphenyl)-3-(2,2-dimethylpropyl)-5-propan-2-yl-4-pyrazolecarboxylic acid IUPAC Name: 1-(4-tert-butylphenyl)-3-(2,2-dimethylpropyl)-5-propan-2-ylpyrazole-4-carboxylic acid Traditional Name: 1-(4-tert-butylphenyl)-5-isopropyl-3-neopentyl-pyrazole-4-carboxylic acid Formula: C22H32N2O2 MolecularWeight: 356.50168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=NN1C2=CC=C(C=C2)C(C)(C)C)CC(C)(C)C)C(=O)O

Isomeric SMILES

CC(C)C1=C(C(=NN1C2=CC=C(C=C2)C(C)(C)C)CC(C)(C)C)C(=O)O

InChI

InChI=1S/C22H32N2O2/c1-14(2)19-18(20(25)26)17(13-21(3,4)5)23-24(19)16-11-9-15(10-12-16)22(6,7)8/h9-12,14H,13H2,1-8H3,(H,25,26)