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CAS 1807939-64-5

:

rel-(2R,3R)-1-(1,1-Dimethylethyl)-2-[1-(2-methoxyethyl)-1H-pyrazol-4-yl]-5-oxo-3-pyrrolidinecarbonitrile

Description:
The chemical substance known as rel-(2R,3R)-1-(1,1-Dimethylethyl)-2-[1-(2-methoxyethyl)-1H-pyrazol-4-yl]-5-oxo-3-pyrrolidinecarbonitrile, with the CAS number 1807939-64-5, is characterized by its complex molecular structure, which includes a pyrrolidine ring, a pyrazole moiety, and a carbonitrile functional group. This compound exhibits chirality, indicated by the rel-(2R,3R) configuration, which suggests specific stereochemical properties that can influence its biological activity and interactions. The presence of the dimethylethyl group contributes to its hydrophobic characteristics, while the methoxyethyl group may enhance solubility and reactivity. The oxo group indicates the presence of a carbonyl, which can participate in various chemical reactions, including nucleophilic attacks. Overall, this compound's unique structural features suggest potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, where its specific stereochemistry and functional groups may play crucial roles in its efficacy and safety profiles.
Formula:C15H22N4O2
InChI:InChI=1/C15H22N4O2/c1-15(2,3)19-13(20)7-11(8-16)14(19)12-9-17-18(10-12)5-6-21-4/h9-11,14H,5-7H2,1-4H3/t11-,14+/s2
InChI key:InChIKey=YCTOUYHLELRDAP-JOYKWEQTNA-N
SMILES:C(C)(C)(C)N1[C@H]([C@H](C#N)CC1=O)C2=CN(CCOC)N=C2
Synonyms:
  • 3-Pyrrolidinecarbonitrile, 1-(1,1-dimethylethyl)-2-[1-(2-methoxyethyl)-1H-pyrazol-4-yl]-5-oxo-, (2R,3R)-rel-
  • rel-(2R,3R)-1-(1,1-Dimethylethyl)-2-[1-(2-methoxyethyl)-1H-pyrazol-4-yl]-5-oxo-3-pyrrolidinecarbonitrile
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