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

Systemtic Name: 1-(4-tert-butylphenyl)-3-(2,2-dimethylpropyl)-5-phenyl-pyrazole-4-carboxylic acid Openeye Name: 1-(4-tert-butylphenyl)-3-(2,2-dimethylpropyl)-5-phenyl-pyrazole-4-carboxylic acid CAS Name: 1-(4-tert-butylphenyl)-3-(2,2-dimethylpropyl)-5-phenyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(4-tert-butylphenyl)-3-(2,2-dimethylpropyl)-5-phenylpyrazole-4-carboxylic acid Traditional Name: 1-(4-tert-butylphenyl)-3-neopentyl-5-phenyl-pyrazole-4-carboxylic acid Formula: C25H30N2O2 MolecularWeight: 390.5179

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC1=NN(C(=C1C(=O)O)C2=CC=CC=C2)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC(C)(C)CC1=NN(C(=C1C(=O)O)C2=CC=CC=C2)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C25H30N2O2/c1-24(2,3)16-20-21(23(28)29)22(17-10-8-7-9-11-17)27(26-20)19-14-12-18(13-15-19)25(4,5)6/h7-15H,16H2,1-6H3,(H,28,29)