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 C9H14N2
Molecular Weight 150.22 g/mol
Exact Mass 150.1157 Da
InChI
InChI=1S/C9H14N2/c1-5-6-9-7(2)10-11(4)8(9)3/h5H,1,6H2,2-4H3
InChIKey
YLBGZANVFWEKRE-UHFFFAOYSA-N
SMILES
C=CCC1=C(C)N(C)N=C1C
Number of Atoms 25
Number of H-Bond Acceptors 2
Number of H-Bond Donors 0
Atoms in the Largest π-System 5
XLogP 2.1
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