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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>7</sub>H<sub>10</sub>N<sub>2</sub>O<sub>2</sub>S

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Extracted from

Scheme 15 Scheme 56 Scheme 57 Scheme 58 Scheme 59 Scheme 60

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₇H₁₀N₂O₂S
Molecular Weight	186.23 g/mol
Exact Mass	186.0463 Da
InChI	InChI=1S/C7H10N2O2S/c1-6-2-4-7(5-3-6)12(10,11)9-8/h2-5,9H,8H2,1H3
InChIKey	ICGLPKIVTVWCFT-UHFFFAOYSA-N
SMILES	CC1=CC=C(C=C1)S(=O)(=O)NN
Number of Atoms	22
Number of H-Bond Acceptors	4
Number of H-Bond Donors	2
Atoms in the Largest π-System	11
XLogP	-0.4

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