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

Systemtic Name: tert-butyl (5R)-5-oxidanyl-3-pentyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate Openeye Name: tert-butyl (5R)-5-hydroxy-3-pentyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate CAS Name: (5R)-5-hydroxy-3-pentyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (5R)-5-hydroxy-3-pentyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate Traditional Name: (5R)-3-amyl-5-hydroxy-5-(trifluoromethyl)-2-pyrazoline-1-carboxylic acid tert-butyl ester Formula: C14H23F3N2O3 MolecularWeight: 324.33923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H23F3N2O3/c1-5-6-7-8-10-9-13(21,14(15,16)17)19(18-10)11(20)22-12(2,3)4/h21H,5-9H2,1-4H3/t13-/m1/s1