5-Nitro-3-pyrazolecarboxylic Acid - CAS 198348-89-9
Catalog: |
BB015334 |
Product Name: |
5-Nitro-3-pyrazolecarboxylic Acid |
CAS: |
198348-89-9 |
Synonyms: |
5-nitro-1H-pyrazole-3-carboxylic acid; 5-nitro-1H-pyrazole-3-carboxylic acid |
IUPAC Name: | 5-nitro-1H-pyrazole-3-carboxylic acid |
Description: | 5-Nitro-1H-pyrazole-3-carboxylic acid was investigated for potential therapeutic properties on ocular blood flow and retinal function recovery after reperfusion injury and ischemic insult. |
Molecular Weight: | 157.08 |
Molecular Formula: | C4H3N3O4 |
Canonical SMILES: | C1=C(NN=C1C(=O)O)[N+](=O)[O-] |
InChI: | InChI=1S/C4H3N3O4/c8-4(9)2-1-3(6-5-2)7(10)11/h1H,(H,5,6)(H,8,9) |
InChI Key: | HKYHBMLIEAMWRO-UHFFFAOYSA-N |
Boiling Point: | 509.6 °C at 760 mmHg |
Density: | 1.84 g/cm3 |
MDL: | MFCD00192356 |
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 |
WO-2021178420-A1 | Compounds targeting rna-binding proteins or rna-modifying proteins | 20200303 |
US-11091447-B2 | UBE2K modulators and methods for their use | 20200103 |
US-2021214320-A1 | Ube2k modulators and methods for their use | 20200103 |
PMID | Publication Date | Title | Journal |
22917519 | 20120915 | Inhibitor scaffold for the histone lysine demethylase KDM4C (JMJD2C) | Bioorganic & medicinal chemistry letters |
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: | 0.2 |
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