In this paper, we report the anisochrony of the fluorine atoms of a CHF₂ group when linked to a pyrazole ring. The pyrazole is part of (4S,7R)-7,8,8-trimethyl-4,5,6,7-tetrahydro-4,7-methano-2H-indazole also known as (4S,7R)-campho[2,3-c]pyrazole, which has two stereogenic centers. Gauge-Independent Atomic Orbital (GIAO)/Becke, 3-parameter, Lee-Yang-Parr (B3LYP)/6-311++G(d,f) calculated 19F chem...

The title compound, C(21)H(16)N(2)O(2), was derived from 1-(2-hydroxy-phen-yl)-3-(-methoxy-phen-yl)propane-1,3-dione. The mol-ecular structure of the title compound is stabilized by an intra-molecular O-H⋯N hydrogen bond. The dihedral angle between the hydroxy-phenyl ring involved in this intra-molecular hydrogen bond and the pyrazole ring is significantly smaller [10.07 (6)°] than the dihedral...

The title compound, C(30)H(24)N(4), contains two pyrazole rings and four phenyl rings. The pyrazole rings are essentially planar, with maximum deviations of 0.003 (1) and 0.066 (1) Å and make a dihedral angle of 73.43 (6)°. The two pyrazole rings make dihedral angles of 40.08 (6), 9.28 (6), 15.78 (8) and 17.25 (7)° with their attached phenyl rings. In the crystal, there are no significant inter...

A series of 4-(substituted)-N-(guanidinyl)benzenesulfonamides bearing biologically active pyrazole, pyrimidine and pyridine moieties were prepared and evaluated for their anticancer activity against human tumor breast cell line (MCF7). These sulfonamides showed promising activity with IC50 values ranging from 49.5 to 70.2 μM. The structure-activity relationship of the synthesized compounds was ...

For many years it has been recognised that not all the properties of pyrazole are due to the molecule itself [l-4]. With the elucidation of the metabolism of pyrazole [S] it was appreciated that several metabolites could possess biological activity. In {6] an in vitro inhibition of catalase (EC 1 .l 1 .1.6) by 4-hydroxypyrazole (4-HP), one of the major metabolites of pyrazole was reported. This...

The title compound, C(15)H(13)N(3)O(4), was synthesized from dimethyl 1H-pyrazole-3,5-dicarboxyl-ate and 4-(bromo-meth-yl)benzonitrile. The inter-planar angle between the pyrazole and cyano-benzyl ring planes is 71.74 (17)° and an intramolecular C-H⋯O interaction occurs. The crystal structure is stabilized by π-π stacking inter-actions between the neighbouring pyrazole and benzene rings [centro...

In the title compound, C24H17ClFN3S, the pyrazole ring is almost planar (r.m.s. deviation = 0.030 Å). With the exception of the methine-bound benzene ring, which forms a dihedral angle of 85.77 (13)° with the pyrazole ring, the remaining non-C atoms lie in an approximate plane (r.m.s. deviation = 0.084 Å) so that overall the mol-ecule has a T-shape. In the crystal, centrosymmetrically related m...

A new series of 5-substituted-3-methylsulfanyl-1-(2,4-dinitro phenyl)-1H-pyrazole-4-carboxylic acid ethyl esters were synthesized by reacting the amino group of 5-amino-3-methylsulfanyl-1-(2,4-dinitro phenyl)-1H-pyrazole-4carboxylic acid ethyl ester with acid anhydrides, acid chlorides and phenyl dithiocarbamates. The title compounds were investigated for analgesic, anti-inflammatory and ulcero...

In the title compound, C(35)H(32)N(4)O(4), the pyrazole ring forms a dihedral angle of 15.04 (8)° with the adjacent pyrimidine ring. The pyrimidine ring forms dihedral angles of 9.95 (8) and 1.86 (7)° with its adjacent meth-oxy-substituted benzene rings, whereas the equivalent angles are 80.24 (9) and 11.55 (9)° for the pyrazole ring and its adjacent benzene rings. The crystal packing features ...