Pyrazole-3-boronic Acid - CAS 376584-63-3
Catalog: |
BB023374 |
Product Name: |
Pyrazole-3-boronic Acid |
CAS: |
376584-63-3 |
Synonyms: |
1H-pyrazol-5-ylboronic acid; 1H-pyrazol-5-ylboronic acid |
IUPAC Name: | 1H-pyrazol-5-ylboronic acid |
Description: | Pyrazole-3-boronic Acid (CAS# 376584-63-3) is a useful research chemical. |
Molecular Weight: | 111.89 |
Molecular Formula: | C3H5N2O2B |
Canonical SMILES: | B(C1=CC=NN1)(O)O |
InChI: | InChI=1S/C3H5BN2O2/c7-4(8)3-1-2-5-6-3/h1-2,7-8H,(H,5,6) |
InChI Key: | NEUWPDLMDVINSN-UHFFFAOYSA-N |
MDL: | MFCD07368247 |
LogP: | -1.91050 |
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-113321645-A | 5-aminoisoxazole derivative and application thereof in preparation of multi-kinase inhibitor | 20210107 |
CN-112645878-A | N-containing compound with specific response to pressure stimulation, preparation method and application | 20201214 |
CN-113149996-A | Polycyclic amide derivative serving as CDK9 inhibitor, and preparation method and application thereof | 20200512 |
WO-2021190425-A1 | TRANSFORMING GROWTH FACTOR-β RECEPTOR INHIBITOR | 20200324 |
JP-2021138690-A | Pharmaceuticals consisting of novel heteroaromatic amide derivatives or salts thereof | 20200228 |
PMID | Publication Date | Title | Journal |
22917519 | 20120915 | Inhibitor scaffold for the histone lysine demethylase KDM4C (JMJD2C) | Bioorganic & medicinal chemistry letters |
Complexity: | 79.7 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 112.0444076 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 112.0444076 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 69.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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