3,5-ditert-butyl-2-(4-fluorophenyl)-4-(4-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid

Systemtic Name: 3,5-ditert-butyl-2-(4-fluorophenyl)-4-(4-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid Openeye Name: 3,5-ditert-butyl-2-(4-fluorophenyl)-4-(4-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid CAS Name: 3,5-ditert-butyl-2-(4-fluorophenyl)-4-(4-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid IUPAC Name: 3,5-ditert-butyl-2-(4-fluorophenyl)-4-(4-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid Traditional Name: 3,5-ditert-butyl-1-(4-fluorophenyl)-4-(4-hydroxyphenyl)-3-pyrazoline-3-carboxylic acid Formula: C24H29FN2O3 MolecularWeight: 412.497063

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(NN1C2=CC=C(C=C2)F)(C(=O)O)C(C)(C)C)C3=CC=C(C=C3)O

Isomeric SMILES

CC(C)(C)C1=C(C(NN1C2=CC=C(C=C2)F)(C(=O)O)C(C)(C)C)C3=CC=C(C=C3)O

InChI

InChI=1S/C24H29FN2O3/c1-22(2,3)20-19(15-7-13-18(28)14-8-15)24(21(29)30,23(4,5)6)26-27(20)17-11-9-16(25)10-12-17/h7-14,26,28H,1-6H3,(H,29,30)