1H-Pyrazole-3,5-dicarboxylic acid
Product Information
Molecular Formula
C5H4N2O4
Molecular Weight
156.0970
Description
1H-Pyrazole-3,5-dicarboxylic acid is a chemical intermediate widely used in medicinal chemistry and drug design. It plays a key role in the synthesis of various pharmaceutical compounds, particularly those targeting neurological disorders and cardiovascular diseases.
Synonyms
1H-Pyrazole-3,5-dicarboxylic acid
IUPAC Name
1H-pyrazole-3,5-dicarboxylic acid
SMILES
C1=C(NN=C1C(=O)O)C(=O)O
InChI
InChI=1S/C5H4N2O4/c8-4(9)2-1-3(5(10)11)7-6-2/h1H,(H,6,7)(H,8,9)(H,10,11)
InChI Key
YDMVPJZBYSWOOP-UHFFFAOYSA-N
Boiling Point
614.4±40.0 °C(Predicted)
Melting Point
295 °C
Purity
>98.0%(T)
Density
1.814±0.06 g/cm3(Predicted)
Appearance
White to Almost white powder to crystal
Storage
Store under inert gas
Computed Properties
XLogP3
-0.1
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
2
Exact Mass
156.01710661 g/mol
Monoisotopic Mass
156.01710661 g/mol
Topological Polar Surface Area
103Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
193
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| JP-2022009369-A | Deodorant for daily life odor | 2021-10-21 |
| CN-113667136-A | Ultrahigh-stability and low-cost metal-organic framework material for efficiently separating acetylene/carbon dioxide and preparation method thereof | 2021-09-09 |
| CN-113549223-A | Micron MOF-303 and preparation method thereof | 2021-08-05 |
| CN-113689918-A | Method for predicting performance of metal organic framework material in catalyzing carbon dioxide | 2021-06-24 |
| CN-215139840-U | Bromination cauldron is used in 4-bromine pyrazole processing with tail gas treatment function | 2021-04-28 |
| CN-113046734-A | Bivalent palladium complex solution and preparation method and application thereof | 2021-03-12 |
| CN-112827470-A | Selective air water-absorbing MOFs material with high stability and preparation method thereof | 2020-12-22 |
| CN-112662088-A | Flame-retardant PVC/NBR rubber-plastic floor material and processing method thereof | 2020-12-10 |
| WO-2022053010-A1 | Fused ring pyrimidone derivatives for use in the treatment of hbv infection or of hbv-induced diseases | 2020-09-11 |
| CN-111925166-A | Glass fiber reinforced concrete material and preparation method thereof | 2020-07-29 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 22763758 | 2012-08-18 | Highly emissive Zn-Ln metal-organic frameworks with an unusual 3D inorganic subnetwork | Chemical communications (Cambridge, England) |
| 21983899 | 2011-11-21 | Incorporation of active metal sites in MOFs via in situ generated ligand deficient metal-linker complexes | Chemical communications (Cambridge, England) |
| 21423959 | 2011-05-14 | Two novel heterometallic Cu(II)-Sr(II) coordination polymers based on 3,5-pyrazoledicarboxylic acid: synthesis, crystal structures and magnetic properties | Dalton transactions (Cambridge, England : 2003) |
| 21331397 | 2011-03-28 | CO2 selectivity of a 1D microporous adenine-based metal-organic framework synthesised in water | Chemical communications (Cambridge, England) |
| 21589058 | 2010-10-20 | 2-Amino-5-methyl-pyridinium 1H-pyrazole-3,5-dicarboxyl-ate trihydrate | Acta crystallographica. Section E, Structure reports online |
| 21587446 | 2010-09-30 | catena-Poly[hexaaqua-1κO,2κO,3κO-(μ(4)-3,5-dicarboxylatopyrazol-1-ido-3':1:2:3κO:N,O:N,O:O)(μ(2)-3,5-dicarboxylatopyrazol-1-ido-1:2κN,O:N,O)-1,2-dicopper(II)-3-manganese(II)] | Acta crystallographica. Section E, Structure reports online |
| 21587560 | 2010-09-18 | Piperazine-1,4-diium bis-(2-carb-oxy-1H-pyrazole-4-carboxyl-ate) tetra-hydrate | Acta crystallographica. Section E, Structure reports online |
| 21588639 | 2010-08-11 | 2,2',5,5'-Tetra-chloro-benzidine | Acta crystallographica. Section E, Structure reports online |
| 21588159 | 2010-07-14 | Tris(ethyl-enediamine)-nickel(II) 1H-pyrazole-3,5-dicarboxyl-ate 1.67-hydrate | Acta crystallographica. Section E, Structure reports online |
| 21587990 | 2010-06-26 | 2,4,6-Triphenyl-aniline | Acta crystallographica. Section E, Structure reports online |
