1-tert-butyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid

Systemtic Name: 1-tert-butyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid Openeye Name: 1-tert-butyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid CAS Name: 1-tert-butyl-5-(trifluoromethyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-tert-butyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid Traditional Name: 1-tert-butyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid Formula: C9H11F3N2O2 MolecularWeight: 236.19105

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=C(C=N1)C(=O)O)C(F)(F)F

Isomeric SMILES

CC(C)(C)N1C(=C(C=N1)C(=O)O)C(F)(F)F

InChI

InChI=1S/C9H11F3N2O2/c1-8(2,3)14-6(9(10,11)12)5(4-13-14)7(15)16/h4H,1-3H3,(H,15,16)