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 C11H18N2
Molecular Weight 178.27 g/mol
Exact Mass 178.1470 Da
InChI
InChI=1S/C11H18N2/c1-5-8-9-10(6-2)12-13(4)11(9)7-3/h5H,1,6-8H2,2-4H3
InChIKey
QVXFSZLIZUEAHA-UHFFFAOYSA-N
SMILES
C=CCC1=C(CC)N(C)N=C1CC
Number of Atoms 31
Number of H-Bond Acceptors 2
Number of H-Bond Donors 0
Atoms in the Largest π-System 5
XLogP 2.6
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