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

Systemtic Name: tert-butyl (5S)-3-butyl-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate Openeye Name: tert-butyl (5S)-3-butyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate CAS Name: (5S)-3-butyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazole-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (5S)-3-butyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate Traditional Name: (5S)-3-butyl-5-hydroxy-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:

CCCCC1=NN(C(C1)(C(F)(F)F)O)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCC1=NN([C@](C1)(C(F)(F)F)O)C(=O)OC(C)(C)C

InChI

InChI=1S/C13H21F3N2O3/c1-5-6-7-9-8-12(20,13(14,15)16)18(17-9)10(19)21-11(2,3)4/h20H,5-8H2,1-4H3/t12-/m0/s1