(2S)-1-[4-(1-ethyl-5-methyl-pyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxylate

Systemtic Name: (2S)-1-[4-(1-ethyl-5-methyl-pyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxylate Openeye Name: (2S)-1-[4-(1-ethyl-5-methyl-pyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[4-(1-ethyl-5-methyl-4-pyrazolyl)-6-(trifluoromethyl)-2-pyrimidinyl]-2-pyrrolidinecarboxylate IUPAC Name: (2S)-1-[4-(1-ethyl-5-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[4-(1-ethyl-5-methyl-pyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxylate Formula: C16H17F3N5O2- MolecularWeight: 368.33369

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)C2=CC(=NC(=N2)N3CCCC3C(=O)[O-])C(F)(F)F)C

Isomeric SMILES

CCN1C(=C(C=N1)C2=CC(=NC(=N2)N3CCC[C@H]3C(=O)[O-])C(F)(F)F)C

InChI

InChI=1S/C16H18F3N5O2/c1-3-24-9(2)10(8-20-24)11-7-13(16(17,18)19)22-15(21-11)23-6-4-5-12(23)14(25)26/h7-8,12H,3-6H2,1-2H3,(H,25,26)/p-1/t12-/m0/s1