tert-butyl 5-oxidanyl-3-propan-2-yl-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate

Systemtic Name: tert-butyl 5-oxidanyl-3-propan-2-yl-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate Openeye Name: tert-butyl 5-hydroxy-3-isopropyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate CAS Name: 5-hydroxy-3-propan-2-yl-5-(trifluoromethyl)-4H-pyrazole-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-hydroxy-3-propan-2-yl-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate Traditional Name: 5-hydroxy-3-isopropyl-5-(trifluoromethyl)-2-pyrazoline-1-carboxylic acid tert-butyl ester Formula: C12H19F3N2O3 MolecularWeight: 296.28607

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN(C(C1)(C(F)(F)F)O)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)C1=NN(C(C1)(C(F)(F)F)O)C(=O)OC(C)(C)C

InChI

InChI=1S/C12H19F3N2O3/c1-7(2)8-6-11(19,12(13,14)15)17(16-8)9(18)20-10(3,4)5/h7,19H,6H2,1-5H3