1,3-Dimethylpyrazole-5-boronic Acid - CAS 847818-68-2
Catalog: |
BB037307 |
Product Name: |
1,3-Dimethylpyrazole-5-boronic Acid |
CAS: |
847818-68-2 |
Synonyms: |
(2,5-dimethyl-3-pyrazolyl)boronic acid; (2,5-dimethylpyrazol-3-yl)boronic acid |
IUPAC Name: | (2,5-dimethylpyrazol-3-yl)boronic acid |
Description: | 1,3-Dimethylpyrazole-5-boronic Acid (CAS# 847818-68-2) is a useful research chemical. |
Molecular Weight: | 139.95 |
Molecular Formula: | C5H9N2O2B |
Canonical SMILES: | B(C1=CC(=NN1C)C)(O)O |
InChI: | InChI=1S/C5H9BN2O2/c1-4-3-5(6(9)10)8(2)7-4/h3,9-10H,1-2H3 |
InChI Key: | RAAWPADCPXAWSK-UHFFFAOYSA-N |
Appearance: | Solid |
LogP: | -1.59170 |
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 |
WO-2021191359-A1 | Monoacylglycerol lipase modulators | 20200326 |
WO-2021113263-A1 | Crf receptor antagonists and methods of use | 20191204 |
WO-2021064571-A1 | N-substituted-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidin-2-yl derivatives as inhibitors of the human immunodeficiency virus replication | 20191001 |
CN-110818683-A | 2-pyridine substituted urea structure small molecule compound and synthesis and application thereof | 20180810 |
EP-3655406-A1 | Substituted pyrrolopyridine-derivatives | 20170718 |
Complexity: | 122 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 140.0757077 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 140.0757077 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 58.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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