The asymmetric unit of the title compound, C 23H 23ClFN5O 2, contains two crystallographically independent mol-ecules. In one mol-ecule, the pyrazole ring makes dihedral angles of 43.93 (7) and 35.82 (7)°, respectively, with the fluoro- and chloro-substituted benzene rings, while the corresponding angles in the other mol-ecule are 52.26 (8) and 36.85 (7)°. The piperazine rings adopt chair conformations. In the crystal, adjacent mol-ecules are connected via inter-molecular N - H⋯O, C - H⋯F, C - H⋯N and C - H⋯O hydrogen bonds, forming a two-dimensional network parallel to the bc plane. The crystal structure is further stabilized by a weak π-π inter-action with a centroid-centroid distance of 3.6610 (8) Å and by C - H⋯π inter-actions. © Shahani et al. 2011.

Sarveswari S

Department of Chemistry

School of Advanced Sciences

Vellore Campus

Vijayakumar V

Shahani T

Fun H.-K

Ragavan R.V

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Vellore Institute of Technology (VIT) is a private university located in&nbsp;Tamil Nadu, India. Founded in 1984, as Vellore Engineering College, the institution offers 20 undergraduate, 34 postgraduate, four integrated and four research programs. It has campuses in Vellore, Amravati, Bhopal and Chennai.

VIT is one of the top ranked private universities in India according to NIRF, THE and QS Rankings.&nbsp;Govt. of India has recognized&nbsp;VIT, Vellore as an&nbsp;Institution of Eminence. This has allowed VIT to take independent quality initiatives and move up in world ranking.

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4-{[5-(4-Chloro-phen-yl)-1-(4-fluoro-phen-yl)-1H-pyrazol-3-yl]carbon-yl}-N-ethyl-piperazine-1-carboxamide.

Acta Crystallographica Section E Structure Reports Online

α-Oxy/thio substituted β-keto esters were synthesized through an efficient cross-Claisen condensation of oxy/thio substituted acetic acid ethyl esters with acid chlorides, which in turn converted in situ into 4-oxy/thio substituted-1H-pyrazol-5(4H)-ones by the addition of hydrazine and its derivatives. This method has been found to be extremely fast, general, and useful toward the synthesis of inaccessible pyrazolones and synthetically demanding 4-oxy/thio substituted pyrazolones. © 2010 HeteroCorporation.

Journal of Heterocyclic Chemistry

A novel route to 4-oxy/thio substituted-1H-pyrazol-5(4H)-ones via efficient cross-Claisen condensation

Novel 1,5-diaryl pyrazole derivatives viz. 5-(4-chlorophenyl)-1-(4-fluorophenyl)-1H-pyrazole-3-carboxamides (2a-e, 3, 3a-f), 2-(5-(4-chlorophenyl)-1-(4-fluorophenyl)-1H-pyrazole-3-yl)thiazoles (6a-c,7, 8, 9a-c, 10, 11) were synthesized by varying the active part (amide group) of pyrazole, characterized using IR, (1)H NMR, mass spectral data and screened for their antibacterial activity against Escherichia coli (ATTC-25922), Staphylococcus aureus (ATTC-25923), Pseudomonas aeruginosa (ATTC-27853), Klebsiella pneumonia. Similarly all these compounds were screened for their antifungal activity against Aspergillus flavus (NCIM No. 524), Aspergillus fumigates (NCIM No. 902), Penicillium marneffei and Trichophyton mentagrophytes. Interestingly all the synthesized compounds exhibited good antibacterial (except 2a-c, 8, 9a) and antifungal activity (except 2a-c, 6a, 8, 9a).

European Journal of Medicinal Chemistry

Synthesis and antimicrobial activities of novel 1,5-diaryl pyrazoles

In the title compound, C14H18N2O 3S, the 1H-pyrazole ring is approximately planar, with a maximum deviation of 0.005 (1) Å. The dihedral angle formed between the 1H-pyrazole and phenyl rings is 79.09 (5)°. Pairs of inter-molecular N - H⋯O and O⋯H⋯N hydrogen bonds form dimers between neighboring molecules, generating R 2 2(10) ring motifs. These dimers are further linked by intermolecular N - H⋯O and O - H⋯N hydrogen bonds into two-dimensional arrays parallel to the ac plane. The crystal structure is also stabilized by C - H⋯π inter-actions.

5-Pentyl-4-phenylsulfonyl-1H-pyrazol-3-ol

In the title compound, C11H17N3O 3, the pyrazole ring is approximately planar, with a maximum deviation of 0.005 (2) Å, and forms a dihedral angle of 5.69 (13)° with the plane through the six atoms of the piperidine ring. In the crystal, pairs of inter-molecular N-H⋯O hydrogen bonds form dimers with neighbouring mol-ecules, generating R 22(8) ring motifs. These dimers are further linked into two-dimensional arrays parallel to the bc plane by inter-molecular N-H⋯O and C-H⋯O hydrogen bonds.

Tert-butyl 3-oxo-2,3,4,5,6,7-hexahydro-1H-pyrazolo[4,3-c]pyridine-5-carboxylate

In the title compound, C6H10N2O, the 2,3-dihydro-1H-pyrazole ring is approximately planar, with a maximum deviation of 0.013 (1) Å. Pairs of inter-molecular N - H⋯O hydrogen bonds link neighboring mol-ecules into dimers, generating R 2 2(8) ring motifs. These dimers are further linked into two-dimensional arrays parallel to the bc plane by inter-molecular N - H⋯O hydrogen bonds. The crystal structure is further stabilized by C - H⋯π inter-actions.

Journal	Acta Crystallographica Section E Structure Reports Online
Publisher	International Union of Crystallography (IUCr)
ISSN	16005368
Open Access	No