ethyl (5S)-5-oxidanyl-3-pentyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate

Systemtic Name: ethyl (5S)-5-oxidanyl-3-pentyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate Openeye Name: ethyl (5S)-5-hydroxy-3-pentyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate CAS Name: (5S)-5-hydroxy-3-pentyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxylic acid ethyl ester IUPAC Name: ethyl (5S)-5-hydroxy-3-pentyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate Traditional Name: (5S)-3-amyl-5-hydroxy-5-(trifluoromethyl)-2-pyrazoline-1-carboxylic acid ethyl ester Formula: C12H19F3N2O3 MolecularWeight: 296.28607

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NN(C(C1)(C(F)(F)F)O)C(=O)OCC

Isomeric SMILES

CCCCCC1=NN([C@](C1)(C(F)(F)F)O)C(=O)OCC

InChI

InChI=1S/C12H19F3N2O3/c1-3-5-6-7-9-8-11(19,12(13,14)15)17(16-9)10(18)20-4-2/h19H,3-8H2,1-2H3/t11-/m0/s1