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930-36-9 | 1-Methylpyrazole
CAS No: 930-36-9 Catalog No: AG003EH9 MDL No:MFCD00144943
Product Description
Catalog Number:
AG003EH9
Chemical Name:
1-Methylpyrazole
CAS Number:
930-36-9
Molecular Formula:
C4H6N2
Molecular Weight:
82.1038
MDL Number:
MFCD00144943
IUPAC Name:
1-methylpyrazole
InChI:
InChI=1S/C4H6N2/c1-6-4-2-3-5-6/h2-4H,1H3
InChI Key:
UQFQONCQIQEYPJ-UHFFFAOYSA-N
SMILES:
Cn1cccn1
Properties
Complexity:
44.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
82.053g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
82.106g/mol
Monoisotopic Mass:
82.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
Literature
| Title | Journal |
|---|---|
| Reactivity of rhodium(I) complexes bearing nitrogen-containing ligands toward CH3I: synthesis and full characterization of neutral cis-[RhX(CO)2(L)] and acetyl [RhI(μ-I)(COMe)(CO)(L)]2 complexes. | Inorganic chemistry 20120820 |
| Application of medical and analytical methods in Lyme borreliosis monitoring. | Analytical and bioanalytical chemistry 20120301 |
| Pentasubstituted ferrocene and dirhodium(II) tetracarboxylate as building blocks for discrete fullerene-like and extended supramolecular structures. | Inorganic chemistry 20110321 |
| Synthesis and structure-activity relationships of antitubercular 2-nitroimidazooxazines bearing heterocyclic side chains. | Journal of medicinal chemistry 20100128 |
| Synthesis, nematicidal and antimicrobial properties of Bis-[4-methoxy-3-[3-(4-fluorophenyl)-6-(4-methylphenyl)-2(aryl)-tetrahydro-2H-pyrazolo[3,4-d]thiazol-5-yl]phenyl]methanes. | Chemical & pharmaceutical bulletin 20090701 |
| Bonding modes, structures and fluxionality in rhodium and iridium tris(3,5-dimethylpyrazolyl)methane diene complexes. | Dalton transactions (Cambridge, England : 2003) 20090607 |
| {μ-1,3-Bis[(3,5-dimethyl-pyrazol-1-yl)meth-yl]benzene-κN:N}di-μ-chlorido-bis-[chloridopalladium(II)] toluene solvate. | Acta crystallographica. Section E, Structure reports online 20090401 |
| tert-Butyl 4-(1-methyl-1H-pyrazol-5-yl)piperidine-1-carboxyl-ate. | Acta crystallographica. Section E, Structure reports online 20090401 |
| Identification of a nonbasic, nitrile-containing cathepsin K inhibitor (MK-1256) that is efficacious in a monkey model of osteoporosis. | Journal of medicinal chemistry 20081023 |
| Discovery, synthesis and biological evaluation of isoquinolones as novel and highly selective JNK inhibitors (2). | Bioorganic & medicinal chemistry 20080415 |
| Synthesis of hybrid acetogenins, alpha,beta-unsaturated-gamma-lactone-free nitrogen-containing heterocyclic analogues, and their cytotoxicity against human cancer cell lines. | Bioorganic & medicinal chemistry letters 20080301 |
| Thermochemical studies of N-methylpyrazole and N-methylimidazole. | The journal of physical chemistry. A 20070906 |
| Beta-substituted cyclohexanecarboxamide cathepsin K inhibitors: modification of the 1,2-disubstituted aromatic core. | Bioorganic & medicinal chemistry letters 20070601 |
| Syntheses and structures of pyrazolylmethane complexes of rhenium(III), (IV) and (V). | Dalton transactions (Cambridge, England : 2003) 20070428 |
| Synthesis and solid-state structures of pyrazolylmethane complexes of the rare earths. | Inorganic chemistry 20070305 |
| Regioselectivity in lithiation of 1-methylpyrazole: experimental, density functional theory and multinuclear NMR study. | Organic & biomolecular chemistry 20060407 |
| Improved malonaldehyde assay using headspace solid-phase microextraction and its application to the measurement of the antioxidant activity of phytochemicals. | Journal of agricultural and food chemistry 20050615 |
| Electrospray ionization mass and tandem mass spectra of a series of N-pyrazolylmethyl and N-triazolylmethyl N-phenylpiperazines: new dopaminergic ligands with potential antipsychotic properties. | Journal of mass spectrometry : JMS 20050601 |
| On the utility of the azido transfer protocol: synthesis of 2- and 5-azido N-methylimidazoles, 1,3-thiazoles and N-methylpyrazole and their conversion to triazole-azole bisheteroaryls. | Organic & biomolecular chemistry 20050421 |
| Alternative heterocycles for DNA recognition: an N-methylpyrazole/N-methylpyrrole pair specifies for A.T/T.A base pairs. | Bioorganic & medicinal chemistry 20010101 |
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