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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

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Chemical structure C<sub>5</sub>H<sub>9</sub>N<sub>2</sub>O<sub>4</sub>P

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Extracted from

Scheme 62 Scheme 63 Scheme 64 Scheme 66

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₅H₉N₂O₄P
Molecular Weight	192.11 g/mol
Exact Mass	192.0300 Da
InChI	InChI=1S/C5H9N2O4P/c1-4(8)5(7-6)12(9,10-2)11-3/h1-3H3
InChIKey	SQHSJJGGWYIFCD-UHFFFAOYSA-N
SMILES	CC(=O)C(=[N+]=[N-])P(=O)(OC)OC
Number of Atoms	21
Number of H-Bond Acceptors	5
Number of H-Bond Donors	0
Atoms in the Largest π-System	9
XLogP	-0.8

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