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

Systemtic Name: 1-(4-tert-butylphenyl)-3-(2,2-dimethylpropyl)-5-ethyl-pyrazole-4-carboxylic acid Openeye Name: 1-(4-tert-butylphenyl)-3-(2,2-dimethylpropyl)-5-ethyl-pyrazole-4-carboxylic acid CAS Name: 1-(4-tert-butylphenyl)-3-(2,2-dimethylpropyl)-5-ethyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(4-tert-butylphenyl)-3-(2,2-dimethylpropyl)-5-ethylpyrazole-4-carboxylic acid Traditional Name: 1-(4-tert-butylphenyl)-5-ethyl-3-neopentyl-pyrazole-4-carboxylic acid Formula: C21H30N2O2 MolecularWeight: 342.4751

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NN1C2=CC=C(C=C2)C(C)(C)C)CC(C)(C)C)C(=O)O

Isomeric SMILES

CCC1=C(C(=NN1C2=CC=C(C=C2)C(C)(C)C)CC(C)(C)C)C(=O)O

InChI

InChI=1S/C21H30N2O2/c1-8-17-18(19(24)25)16(13-20(2,3)4)22-23(17)15-11-9-14(10-12-15)21(5,6)7/h9-12H,8,13H2,1-7H3,(H,24,25)