The crystal structure of 5-amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-(trifluoromethylsulfonyl)-1H-pyrazole-3-carboxamide, C12H6N4Cl2F6O3S

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Rational Design, Synthesis and Computational Structure-Activity Relationship of Novel 3-(4-Chlorophenyl)-5-(3-Hydroxy-4-Ethoxyphenyl)-4,5-Dihydro-1H-Pyrazole-1-Carboxamide

Densely functionalized 3-(4-chlorophenyl)-5-(3-hydroxy-4-etoxyphenyl)-4,5-dihydro-1H-pyrazole-1-carboxamide was  synthesized in an expedient manner through specification and transamidation  respectively, of ester-functionalized pyrazoles. This synthetic protocol allowed for three diversifying steps in which appendages on the pyrazole scaffold were adjusted to optimize inhibition of protein kina...

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4-Bromo-1-[2,6-dichloro-4-(trifluoro­meth­yl)phen­yl]-5-(4-methoxy­benzyl­ideneamino)-1H-pyrazole-3-carbonitrile

The title compound, C(19)H(10)BrCl(2)F(3)N(4)O, is an imine with an overall Y shape. The dihedral angles between the pyrazole ring and the methoxy- and trifluoromethyl-substituted benzene ring planes are 88.4 (2) and 65.8 (2)°, respectively.

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4-Bromo-1-[2,6-dichloro-4-(trifluoro­meth­yl)phen­yl]-5-(4-nitro­benzyl­idene­amino)-1H-pyrazole-3-carbonitrile

The title compound, C(18)H(7)BrCl(2)F(3)N(5)O(2), is an L-shaped tricyclic imine. The pyrazole ring is essentially coplanar with the nitro-substituted benzene ring [dihedral angle = 3.6 (2)°] and approximately perpendicular to the trifluoro-methyl-substituted ring [dihedral angle = 88.5 (2)°].

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Crystal structure of 3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbaldehyde

In the title compound, C15H13N3O, the pyrrolyl and phenyl rings make dihedral angles of 58.99 (5) and 34.95 (5)°, respectively, with the central pyrazole ring. In the crystal, weak, pairwise C-H⋯O inter-actions across centers of symmetry form dimers, which are further associated into corrugated sheets running approximately parallel to (100) via weak C-H⋯N inter-actions.

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5-(4-Chloro­phen­yl)-1-(2,4-dichloro­phen­yl)-4-methyl-N-(3-pyridylmeth­yl)-1H-pyrazole-3-carboxamide

In the title compound, C(23)H(17)Cl(3)N(4)O, the benzene rings are oriented with respect to the pyrazole ring at dihedral angles of 39.9 (2) and 72.90 (13)° for the chloro-phenyl and di-chloro-phenyl rings, respectively. Inter-molecular C-H⋯N and C-H⋯Cl inter-actions are observed in the crystal packing.

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ژورنال

عنوان ژورنال: Zeitschrift für Kristallographie - New Crystal Structures

سال: 2019

ISSN: 2197-4578,1433-7266

DOI: 10.1515/ncrs-2019-0310