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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>15</sub>ClN<sub>2</sub>

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Extracted from

Scheme 74

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₁₇H₁₅ClN₂
Molecular Weight	282.77 g/mol
Exact Mass	282.0924 Da
InChI	InChI=1S/C17H15ClN2/c1-12-16(13-8-10-15(18)11-9-13)19-20(2)17(12)14-6-4-3-5-7-14/h3-11H,1-2H3
InChIKey	IVRNWBVDAPDFAQ-UHFFFAOYSA-N
SMILES	CC1=C(C2=CC=CC=C2)N(C)N=C1C3=CC=C(C=C3)Cl
Number of Atoms	35
Number of H-Bond Acceptors	2
Number of H-Bond Donors	0
Atoms in the Largest π-System	17
XLogP	3.2

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