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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>12</sub>H<sub>12</sub>N<sub>2</sub>O<sub>2</sub>

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Extracted from

Scheme 73

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₁₂H₁₂N₂O₂
Molecular Weight	216.24 g/mol
Exact Mass	216.0899 Da
InChI	InChI=1S/C12H12N2O2/c1-2-16-12(15)10-8-13-14(9-10)11-6-4-3-5-7-11/h3-9H,2H2,1H3
InChIKey	UBIULDHICQCHJE-UHFFFAOYSA-N
SMILES	CCOC(=O)C1=CN(C2=CC=CC=C2)N=C1
Number of Atoms	28
Number of H-Bond Acceptors	4
Number of H-Bond Donors	0
Atoms in the Largest π-System	14
XLogP	1.8

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