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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>7</sub>H<sub>13</sub>N<sub>2</sub>O<sub>4</sub>P

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Extracted from

Scheme 65

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₇H₁₃N₂O₄P
Molecular Weight	220.16 g/mol
Exact Mass	220.0613 Da
InChI	InChI=1S/C7H13N2O4P/c1-4-12-14(11,13-5-2)7(9-8)6(3)10/h4-5H2,1-3H3
InChIKey	POWMKQRQDNARSN-UHFFFAOYSA-N
SMILES	CCOP(=O)(C(=[N+]=[N-])C(=O)C)OCC
Number of Atoms	27
Number of H-Bond Acceptors	5
Number of H-Bond Donors	0
Atoms in the Largest π-System	9
XLogP	0.0

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