1H-Pyrazole-4-carbonitrile,3-amino-1-cyclopentyl- - CAS 122799-98-8
Catalog number: 122799-98-8
Category: Main Product
Molecular Formula:
C9H12 N4
Molecular Weight:
176.21838;g/mol
COA:
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Purity:
95%
Synonyms:
3-Amino-1-cyclopentyl-1H-pyrazole-4-carbonitrile; 122799-98-8; 3-amino-1-cyclopentylpyrazole-4-carbonitrile; 1H-Pyrazole-4-carbonitrile,3-amino-1-cyclopentyl-; SCHEMBL174443; CTK8B5970
MSDS:
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Quantity:
Data not available, please inquire.
Boiling Point:
394.2ºC at 760 mmHg
Density:
1.36g/cm3
InChIKey:
JWFXBAXRJTXECX-UHFFFAOYSA-N
InChI:
InChI=1S/C9H12N4/c10-5-7-6-13(12-9(7)11)8-3-1-2-4-8/h6,8H,1-4H2,(H2,11,12)
Canonical SMILES:
C1CCC(C1)N2C=C(C(=N2)N)C#N
1.Explicit spectral response of the geometrical isomers of a bio-active pyrazoline derivative encapsulated in β-cyclodextrin nanocavity: a photophysical and quantum chemical analysis.
Mati SS1, Sarkar S, Sarkar P, Bhattacharya SC. J Phys Chem A. 2012 Oct 25;116(42):10371-82. doi: 10.1021/jp307964z. Epub 2012 Oct 11.
The existence of two geometrical isomers (cis- and trans-) of a biologically significant pyrazoline derivative [5-(-1'-(4-bromo-phenyl)-3a',7a'-hexahydro-1'H-indazol-3'-yl)-3-methyl-1-phenyl-1H-pyrazole-4-carbonitrile] (PZ) has been established using a combined theoretical and experimental investigation. Solvatochromic analysis of PZ revealed the existence of said cis- and trans- isomers. The unique solvatochromic response of the PZ isomers and their preferential encapsulation within β-cyclodextrin (β-CD) nanocavity clearly shows the difference in the behavioral nature of the isomers of PZ in homogeneous and heterogeneous medium. Solvent polarity, time-resolved study, and anisotropy results also reinforce in favor of the existence of the isomers. To evaluate the actual orientation of cis and trans-PZ, the ground and excited state geometry of these isomers were optimized by the DFT/LanL2DZ and CIS/LanL2DZ methods, respectively. The experimentally observed results and the theoretically calculated results are found to be in close agreement.
2.Synthesis and antimicrobial activity of some new thieno[2,3-b]thiophene derivatives.
Mabkhot YN1, Kheder NA, Farag AM. Molecules. 2013 Apr 19;18(4):4669-78. doi: 10.3390/molecules18044669.
A series of thieno[2,3-b]thiophene moiety-containing bis-cyanopyrazoles 5a-c, bis-aminopyrazole 9 and bis-pyridazine derivatives 11 were synthesized and evaluated in vitro for their antimicrobial potential. The antimicrobial activity of some selected products was evaluated and showed good results. 5,5'-(3,4-Dimethylthieno[2,3-b]thiophene-2,5-diyl)bis(3-acetyl-1-(4-chlorophenyl)-1H-pyrazole-4-carbonitrile) (5d) was found to be more potent than the standard drug amphotericin B against Geotricum candidum and equipotent to amphotericin B against Syncephalastrum racemosum. In addition, it was found to be equipotent to the standard drug Penicillin G against Staphylococcus aureus. Moreover, it was more potent than the standard drug streptomycin against Pseudomonas aeruginosa and Escherichia coli.
3.3-Acetyl-5-phenyl-1-p-tolyl-1H-pyrazole-4-carbonitrile.
Abdel-Aziz HA, Ghabbour HA, Chantrapromma S, Fun HK. Acta Crystallogr Sect E Struct Rep Online. 2012 Apr 1;68(Pt 4):o1167. doi: 10.1107/S1600536812011762. Epub 2012 Mar 24.
In the title pyrazole derivative, C(19)H(15)N(3)O, the central pyrazole ring makes dihedral angles of 42.71 (9) and 61.34 (9)°, respectively, with the phenyl and p-tolyl rings. The dihedral angle between the phenyl and p-tolyl rings is 58.22 (9)°. The 3-acetyl-1H-pyrazole-4-carbonitrile unit is essentially planar, with an r.m.s. deviation of 0.0295 (1) Å for the ten non-H atoms.
4.3-Acetyl-1-(3-methyl-phen-yl)-5-phenyl-1H-pyrazole-4-carbonitrile.
Abdel-Aziz HA, Al-Obaid AR, Ghabbour HA, Hemamalini M, Fun HK. Acta Crystallogr Sect E Struct Rep Online. 2012 Feb 1;68(Pt 2):o485-6. doi: 10.1107/S160053681200181X. Epub 2012 Jan 21.
In the title compound, C(19)H(15)N(3)O, the central pyrazole ring makes dihedral angles of 35.52 (12) and 62.21 (11)° with the attached phenyl and methyl-substituted phenyl rings, respectively. The corresponding angle between the phenyl and methyl-substituted phenyl rings is 62.90 (11)°. In the crystal, mol-ecules are connected by weak C-H⋯O hydrogen bonds, forming supra-molecular chains propagating along the a-axis direction.
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CAS 122799-98-8 1H-Pyrazole-4-carbonitrile,3-amino-1-cyclopentyl-

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