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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>O

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Extracted from

Scheme 48

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₉H₈N₂O
Molecular Weight	160.17 g/mol
Exact Mass	160.0637 Da
InChI	InChI=1S/C9H8N2O/c12-9-4-2-1-3-7(9)8-5-6-10-11-8/h1-6,12H,(H,10,11)
InChIKey	LKTJPAUDNOBJAZ-UHFFFAOYSA-N
SMILES	C1=CC(=C(C=C1)O)C2=CC=NN2
Number of Atoms	20
Number of H-Bond Acceptors	3
Number of H-Bond Donors	2
Atoms in the Largest π-System	12
XLogP	1.6

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