Home Carboxys 1H-Pyrazole-3-carboxylic acid

1H-Pyrazole-3-carboxylic acid

CAS No.:
1621-91-6
Catalog Number:
AG001SR3
Molecular Formula:
C4H4N2O2
Molecular Weight:
112.0868
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$50
- +
100g
98%
In Stock USA
United States
$163
- +
500g
98%
In Stock USA
United States
$738
- +
Product Description
Catalog Number:
AG001SR3
Chemical Name:
1H-Pyrazole-3-carboxylic 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
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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
Properties