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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>18</sub>H<sub>14</sub>N<sub>2</sub>

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Extracted from

Scheme 18

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₁₈H₁₄N₂
Molecular Weight	258.32 g/mol
Exact Mass	258.1157 Da
InChI	InChI=1S/C18H14N2/c1-2-13-20-18(16-11-7-4-8-12-16)14-17(19-20)15-9-5-3-6-10-15/h1,3-12,14H,13H2
InChIKey	LDVDTWKIXHTKRW-UHFFFAOYSA-N
SMILES	C#CCN1C(=CC(=N1)C2=CC=CC=C2)C3=CC=CC=C3
Number of Atoms	34
Number of H-Bond Acceptors	2
Number of H-Bond Donors	0
Atoms in the Largest π-System	17
XLogP	3.4

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