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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>10</sub>H<sub>9</sub>ClN<sub>2</sub>

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Extracted from

Scheme 7

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₁₀H₉ClN₂
Molecular Weight	192.65 g/mol
Exact Mass	192.0454 Da
InChI	InChI=1S/C10H9ClN2/c1-8-4-2-3-5-10(8)13-7-9(11)6-12-13/h2-7H,1H3
InChIKey	OLEZHEHGZBKXEA-UHFFFAOYSA-N
SMILES	CC1=C(C=CC=C1)N2C=C(C=N2)Cl
Number of Atoms	22
Number of H-Bond Acceptors	2
Number of H-Bond Donors	0
Atoms in the Largest π-System	11
XLogP	2.3

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