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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>8</sub>N<sub>2</sub>

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Extracted from

Scheme 26

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₉H₈N₂
Molecular Weight	144.17 g/mol
Exact Mass	144.0687 Da
InChI	InChI=1S/C9H8N2/c1-2-4-8(5-3-1)9-6-7-10-11-9/h1-7H,(H,10,11)
InChIKey	OEDUIFSDODUDRK-UHFFFAOYSA-N
SMILES	C1=CC=C(C=C1)C2=NNC=C2
Number of Atoms	19
Number of H-Bond Acceptors	2
Number of H-Bond Donors	1
Atoms in the Largest π-System	11
XLogP	2.0

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