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 [C3H6N2O3P]-
Molecular Weight 149.07 g/mol
Exact Mass 149.0116 Da
InChI
InChI=1S/C3H6N2O3P/c1-7-9(6,8-2)3-5-4/h1-2H3/q-1
InChIKey
NKXMIKPBPRVCCX-UHFFFAOYSA-N
SMILES
COP(=O)([C-]=[N+]=[N-])OC
Number of Atoms 15
Number of H-Bond Acceptors 4
Number of H-Bond Donors 0
Atoms in the Largest π-System 7
XLogP 1.3
Zoomed SVG