(2S)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanoate

Systemtic Name: (2S)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanoate Openeye Name: (2S)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanoate CAS Name: (2S)-2-[5-methyl-3-(trifluoromethyl)-1-pyrazolyl]butanoate IUPAC Name: (2S)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanoate Traditional Name: (2S)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]butyrate Formula: C9H10F3N2O2- MolecularWeight: 235.18311

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])N1C(=CC(=N1)C(F)(F)F)C

Isomeric SMILES

CC[C@@H](C(=O)[O-])N1C(=CC(=N1)C(F)(F)F)C

InChI

InChI=1S/C9H11F3N2O2/c1-3-6(8(15)16)14-5(2)4-7(13-14)9(10,11)12/h4,6H,3H2,1-2H3,(H,15,16)/p-1/t6-/m0/s1