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

Systemtic Name: tert-butyl 3-(2-methylpropyl)-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate Openeye Name: tert-butyl 5-hydroxy-3-isobutyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate CAS Name: 5-hydroxy-3-(2-methylpropyl)-5-(trifluoromethyl)-4H-pyrazole-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-hydroxy-3-(2-methylpropyl)-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate Traditional Name: 5-hydroxy-3-isobutyl-5-(trifluoromethyl)-2-pyrazoline-1-carboxylic acid tert-butyl ester Formula: C13H21F3N2O3 MolecularWeight: 310.31265

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NN(C(C1)(C(F)(F)F)O)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)CC1=NN(C(C1)(C(F)(F)F)O)C(=O)OC(C)(C)C

InChI

InChI=1S/C13H21F3N2O3/c1-8(2)6-9-7-12(20,13(14,15)16)18(17-9)10(19)21-11(3,4)5/h8,20H,6-7H2,1-5H3