Multicomponent syntheses of pyrazoles via (3 + 2)-cyclocondensation and (3 + 2)-cycloaddition key steps

Ignaz Betcke, Alissa C. Götzinger, Maryna M. Kornet and Thomas J. J. Müller
Beilstein J. Org. Chem. 2024, 20, 2024–2077. https://doi.org/10.3762/bjoc.20.178

Chemical Information

Calculated using the Chemistry Development Kit 2.12
Molecular Formula C14H15ClN2O
Molecular Weight 262.74 g/mol
Exact Mass 262.0873 Da
InChI
InChI=1S/C14H15ClN2O/c1-3-13-12(14(18)4-2)9-16-17(13)11-7-5-10(15)6-8-11/h5-9H,3-4H2,1-2H3
InChIKey
GVTIMJRADVZISZ-UHFFFAOYSA-N
SMILES
CCC1=C(C=NN1C2=CC=C(C=C2)Cl)C(=O)CC
Number of Atoms 33
Number of H-Bond Acceptors 3
Number of H-Bond Donors 0
Atoms in the Largest π-System 13
XLogP 2.4
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