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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>14</sub>N<sub>2</sub>

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Extracted from

Scheme 24

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₉H₁₄N₂
Molecular Weight	150.22 g/mol
Exact Mass	150.1157 Da
InChI	InChI=1S/C9H14N2/c1-2-8-7-5-3-4-6-9(7)11-10-8/h2-6H2,1H3,(H,10,11)
InChIKey	HEEOTDOLLAPMNY-UHFFFAOYSA-N
SMILES	CCC1=NNC2=C1CCCC2
Number of Atoms	25
Number of H-Bond Acceptors	2
Number of H-Bond Donors	1
Atoms in the Largest π-System	5
XLogP	2.0

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