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1621-91-6 | 5-Pyrazolecarboxylic acid
CAS No: 1621-91-6 Catalog No: AG001SR3 MDL No:MFCD00077436
Product Description
Catalog Number:
AG001SR3
Chemical Name:
5-Pyrazolecarboxylic acid
CAS Number:
1621-91-6
Molecular Formula:
C4H4N2O2
Molecular Weight:
112.0868
MDL Number:
MFCD00077436
IUPAC Name:
1H-pyrazole-5-carboxylic acid
InChI:
InChI=1S/C4H4N2O2/c7-4(8)3-1-2-5-6-3/h1-2H,(H,5,6)(H,7,8)
InChI Key:
KOPFEFZSAMLEHK-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc[nH]n1
Properties
Complexity:
104
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.027g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
112.088g/mol
Monoisotopic Mass:
112.027g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
Literature
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| Metal-ion permeation in congested nanochannels: the exposure effect of Ag+ ions on the phosphorescent properties of a gold(I)-pyrazolate complex that is confined in the nanoscopic channels of mesoporous silica. | Chemistry, an Asian journal 20120901 |
| Selective total encapsulation of the sulfate anion by neutral nano-jars. | Chemical communications (Cambridge, England) 20120711 |
| Rhodium pyrazolate complexes as potential CVD precursors. | Dalton transactions (Cambridge, England : 2003) 20120507 |
| cyclo-Tetra-kis(μ-3-acetyl-4-methyl-1H-pyrazole-5-carboxyl-ato-κN,O:N,O)tetra-kis[aqua-copper(II)] tetra-deca-hydrate. | Acta crystallographica. Section E, Structure reports online 20110901 |
| Neutral, panchromatic Ru(II) terpyridine sensitizers bearing pyridine pyrazolate chelates with superior DSSC performance. | Chemical communications (Cambridge, England) 20091021 |
| Authentic-blue phosphorescent iridium(III) complexes bearing both hydride and benzyl diphenylphosphine; control of the emission efficiency by ligand coordination geometry. | Inorganic chemistry 20090907 |
| Design, synthesis and biological investigation of certain pyrazole-3-carboxylic acid derivatives as novel carriers for nitric oxide. | Bioorganic & medicinal chemistry 20090601 |
| Fragment approaches in structure-based drug discovery. | Journal of synchrotron radiation 20080501 |
| catena-Poly[silver(I)-μ-pyrazolato-κN:N']. | Acta crystallographica. Section E, Structure reports online 20080201 |
| Poly[methano-ltetra-kis[μ(3)-5-(4-methoxy-phen-yl)pyrazole-3-carboxyl-ato(2-)]tri-copper(II)disodium(I). | Acta crystallographica. Section E, Structure reports online 20080101 |
| Fluorinated pyrazole acids are agonists of the high affinity niacin receptor GPR109a. | Bioorganic & medicinal chemistry letters 20071015 |
| The structure of ammonium pyrazolates in the solid state. | Magnetic resonance in chemistry : MRC 20061201 |
| Tris(pyrazolyl)borate carbosilane dendrimers and metallodendrimers. | Dalton transactions (Cambridge, England : 2003) 20061128 |
| Design and solvothermal synthesis of luminescent copper(I)-pyrazolate coordination oligomer and polymer frameworks. | Chemical communications (Cambridge, England) 20060721 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
| Pyrazolate-bridging dinucleating ligands containing hydrogen-bond donors: synthesis and structure of their cobalt analogues. | Inorganic chemistry 20060501 |
| Experimental and theoretical studies on the functionalization reactions of 4-benzoyl-1,5-diphenyl-1H-pyrazole-3-carboxylic acid and acid chloride with 2,3-diaminopyridine. | Molecules (Basel, Switzerland) 20050331 |
| Synthesis and antibacterial activity of 4-benzoyl-1-methyl-5-phenyl-1H-pyrazole-3-carboxylic acid and derivatives. | Farmaco (Societa chimica italiana : 1989) 20050101 |
| Design, synthesis and anti-microbial activity of 1H-pyrazole carboxylates. | Bioorganic & medicinal chemistry letters 20041220 |
| Triangular, ferromagnetically-coupled CuII 3-pyrazolato complexes as possible models of particulate methane monooxygenase (pMMO). | Inorganic chemistry 20030922 |
| Pyrazole derivatives as partial agonists for the nicotinic acid receptor. | Journal of medicinal chemistry 20030828 |
| Oxidative addition of N-H bonds to a metal center: synthesis, characterization, and crystal structure of new rhodium(III) hydrido-pyrazolate complexes. | Inorganic chemistry 20020211 |
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