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1126-00-7 | 1-Phenyl-1H-pyrazole
CAS No: 1126-00-7 Catalog No: AG003EMU MDL No:MFCD00003112
Product Description
Catalog Number:
AG003EMU
Chemical Name:
1-Phenyl-1H-pyrazole
CAS Number:
1126-00-7
Molecular Formula:
C9H8N2
Molecular Weight:
144.1732
MDL Number:
MFCD00003112
IUPAC Name:
1-phenylpyrazole
InChI:
InChI=1S/C9H8N2/c1-2-5-9(6-3-1)11-8-4-7-10-11/h1-8H
InChI Key:
WITMXBRCQWOZPX-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)n1cccn1
EC Number:
214-415-1
NSC Number:
65588
Properties
Complexity:
119
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.069g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
144.177g/mol
Monoisotopic Mass:
144.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| 1,12-diazaperylene and 2,11-dialkylated-1,12-diazaperylene iridium(III) complexes [Ir(C^N)2(N^N)]PF6: new supramolecular assemblies. | Dalton transactions (Cambridge, England : 2003) 20120914 |
| (2E)-1-(2,4-Dichloro-phen-yl)-3-[3-(4-nitro-phen-yl)-1-phenyl-1H-pyrazol-4-yl]prop-2-en-1-one. | Acta crystallographica. Section E, Structure reports online 20120301 |
| Long-lived room temperature deep-red/near-IR emissive intraligand triplet excited state (3IL) of naphthalimide in cyclometalated platinum(II) complexes and its application in upconversion. | Inorganic chemistry 20111121 |
| New cyclometallated precursors of unsubstituted N-phenylpyrazole [{Pd(phpz)(μ-X)}2] (X = AcO or OH) and study of their reactivity towards selected ligands. | Dalton transactions (Cambridge, England : 2003) 20110107 |
| Rhodium-catalyzed oxidative 1:1, 1:2, and 1:4 coupling reactions of phenylazoles with internal alkynes through the regioselective cleavages of multiple C-H bonds. | The Journal of organic chemistry 20110107 |
| A study of the vaporization enthalpies of some 1-substituted imidazoles and pyrazoles by correlation-gas chromatography. | The journal of physical chemistry. B 20101223 |
| Alkyne insertion into cyclometallated pyrazole and imine complexes of iridium, rhodium and ruthenium; relevance to catalytic formation of carbo- and heterocycles. | Dalton transactions (Cambridge, England : 2003) 20101121 |
| Synthesis of new 2,3-dihydroquinazolin-4(1H)-one derivatives for analgesic and anti-inflammatory evaluation. | Archiv der Pharmazie 20100501 |
| Zwitterionic iridium complexes: synthesis, luminescent properties, and their application in cell imaging. | Inorganic chemistry 20100405 |
| Structure, photophysical and electrochemical properties, biomolecular interactions, and intracellular uptake of luminescent cyclometalated iridium(III) dipyridoquinoxaline complexes. | Inorganic chemistry 20100301 |
| Temperature dependence of blue phosphorescent cyclometalated Ir(III) complexes. | Journal of the American Chemical Society 20090722 |
| Synthesis of new N-phenylpyrazole derivatives with potent antimicrobial activity. | Bioorganic & medicinal chemistry 20080415 |
| Regioselective synthesis and antitumor screening of some novel N-phenylpyrazole derivatives. | Bioorganic & medicinal chemistry 20080115 |
| Deprotonative metalation of five-membered aromatic heterocycles using mixed lithium-zinc species. | The Journal of organic chemistry 20080104 |
| Synthesis, photophysical and electrochemical properties, and protein-binding studies of luminescent cyclometalated iridium(III) bipyridine estradiol conjugates. | Chemistry (Weinheim an der Bergstrasse, Germany) 20070101 |
| Heteroleptic cyclometalated iridium(III) complexes displaying blue phosphorescence in solution and solid state at room temperature. | Inorganic chemistry 20051031 |
| Acute human self-poisoning with the N-phenylpyrazole insecticide fipronil--a GABAA-gated chloride channel blocker. | Journal of toxicology. Clinical toxicology 20040101 |
| Synthesis and characterization of facial and meridional tris-cyclometalated iridium(III) complexes. | Journal of the American Chemical Society 20030618 |
| Retention modeling and resolution optimization for a group of N-phenylpyrazole derivatives in micellar electrokinetic chromatography using empirical and physicochemical models. | Electrophoresis 20030101 |
| Carbon-carbon-linked (pyrazolylphenyl)oxazolidinones with antibacterial activity against multiple drug resistant gram-positive and fastidious gram-negative bacteria. | Bioorganic & medicinal chemistry 20011201 |
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