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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>14</sub>N<sub>2</sub>O<sub>2</sub>

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Extracted from

Scheme 8

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₉H₁₄N₂O₂
Molecular Weight	182.22 g/mol
Exact Mass	182.1055 Da
InChI	InChI=1S/C9H14N2O2/c1-4-8-7(6-11(3)10-8)9(12)13-5-2/h6H,4-5H2,1-3H3
InChIKey	FGDWEAFHBKVCOW-UHFFFAOYSA-N
SMILES	CCC1=NN(C)C=C1C(=O)OCC
Number of Atoms	27
Number of H-Bond Acceptors	4
Number of H-Bond Donors	0
Atoms in the Largest π-System	8
XLogP	1.3

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