5-Bromopyrazole-3-carboxylic Acid - CAS 1328893-16-8
Catalog: |
BB007650 |
Product Name: |
5-Bromopyrazole-3-carboxylic Acid |
CAS: |
1328893-16-8 |
Synonyms: |
5-bromo-1H-pyrazole-3-carboxylic acid; 5-bromo-1H-pyrazole-3-carboxylic acid |
IUPAC Name: | 5-bromo-1H-pyrazole-3-carboxylic acid |
Description: | 5-Bromopyrazole-3-carboxylic Acid (CAS# 1328893-16-8) is a useful reagent for the preparation of novel inhibitors of Rho/MRTF/SRF transcription as potential antifibrotics for scleroderma. |
Molecular Weight: | 190.98 |
Molecular Formula: | C4H3BrN2O2 |
Canonical SMILES: | C1=C(NN=C1C(=O)O)Br |
InChI: | InChI=1S/C4H3BrN2O2/c5-3-1-2(4(8)9)6-7-3/h1H,(H,6,7)(H,8,9) |
InChI Key: | OOKGNGYUNBYGEL-UHFFFAOYSA-N |
Storage: | Inert atmosphere, 2-8 °C |
LogP: | 0.87040 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113480518-A | Method for synthesizing chlorantraniliprole | 20210708 |
WO-2020160180-A1 | Compounds and uses thereof | 20190129 |
CN-104844567-B | A kind of synthetic method of intermediate 1 (3 chlorine, 2 pyridine radicals) 3 bromine 1H, 5 pyrazole carboxylic acids | 20150423 |
EP-3204379-A1 | Pyrrolidine amide compounds as histone demethylase inhibitors | 20141010 |
EP-3204379-B1 | Pyrrolidine amide compounds as histone demethylase inhibitors | 20141010 |
Complexity: | 130 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 189.93779 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 189.93779 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 66 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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