4-Nitro-3-pyrazolecarboxylic acid - CAS 5334-40-7
Catalog: |
BB028164 |
Product Name: |
4-Nitro-3-pyrazolecarboxylic acid |
CAS: |
5334-40-7 |
Synonyms: |
4-nitro-1H-pyrazole-5-carboxylic acid |
IUPAC Name: | 4-nitro-1H-pyrazole-5-carboxylic acid |
Description: | 4-Nitro-3-pyrazolecarboxylic acid (CAS# 5334-40-7) is a building block used for the synthesis of biologically active compounds. It is an intermediate for the synthesis of pyrazole-benzimidazole derivatives as potent Aurora A/B kinase inhibitors. |
Molecular Weight: | 157.08 |
Molecular Formula: | C4H3N3O4 |
Canonical SMILES: | C1=NNC(=C1[N+](=O)[O-])C(=O)O |
InChI: | InChI=1S/C4H3N3O4/c8-4(9)3-2(7(10)11)1-5-6-3/h1H,(H,5,6)(H,8,9) |
InChI Key: | ZMAXXOYJWZZQBK-UHFFFAOYSA-N |
Boiling Point: | 360 °C |
Density: | 1.84 g/cm3 |
MDL: | MFCD00090899 |
LogP: | 0.53930 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112174890-A | Ketone-substituted heterocyclic compounds and their anesthetic action | 20201009 |
CN-112239428-A | Ketone-substituted heterocyclic compounds and their anesthetic action | 20201009 |
US-2021301175-A1 | Polishing composition | 20200330 |
WO-2021119554-A1 | Compositions and methods for potentiating immune activity | 20191212 |
CN-111004220-A | 3- (4-phenyl-1H-2-imidazolyl) -1H-pyrazole compound, and preparation method and application thereof | 20191211 |
PMID | Publication Date | Title | Journal |
20952482 | 20110101 | A series of D-amino acid oxidase inhibitors specifically prevents and reverses formalin-induced tonic pain in rats | The Journal of pharmacology and experimental therapeutics |
15287758 | 20040806 | New heterocyclic beta-sheet ligands with peptidic recognition elements | The Journal of organic chemistry |
Complexity: | 188 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 157.01235559 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 157.01235559 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 112 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.1 |
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