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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>17</sub>H<sub>24</sub>N<sub>2</sub>

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Extracted from

Scheme 43

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₁₇H₂₄N₂
Molecular Weight	256.39 g/mol
Exact Mass	256.1939 Da
InChI	InChI=1S/C17H24N2/c1-4-5-6-7-8-16-13-17(18-19(16)3)15-11-9-14(2)10-12-15/h9-13H,4-8H2,1-3H3
InChIKey	QBHDYMIOBGRPDJ-UHFFFAOYSA-N
SMILES	CCCCCCC1=CC(=NN1C)C2=CC=C(C)C=C2
Number of Atoms	43
Number of H-Bond Acceptors	2
Number of H-Bond Donors	0
Atoms in the Largest π-System	11
XLogP	5.0

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