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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>9</sub>H<sub>15</sub>N<sub>2</sub>O<sub>3</sub>P

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Extracted from

Scheme 66

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₉H₁₅N₂O₃P
Molecular Weight	230.20 g/mol
Exact Mass	230.0820 Da
InChI	InChI=1S/C9H15N2O3P/c1-5-7-8(6-2)10-11-9(7)15(12,13-3)14-4/h6H,2,5H2,1,3-4H3,(H,10,11)
InChIKey	OWWJHLAERKWIKE-UHFFFAOYSA-N
SMILES	CCC1=C(C=C)NN=C1P(=O)(OC)OC
Number of Atoms	30
Number of H-Bond Acceptors	5
Number of H-Bond Donors	1
Atoms in the Largest π-System	11
XLogP	1.6

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