1-(2-Amino-2-oxoethyl)-1H-pyrazole-4-boronic Acid Pinacol Ester - CAS 1083326-46-8
Catalog: |
BB002253 |
Product Name: |
1-(2-Amino-2-oxoethyl)-1H-pyrazole-4-boronic Acid Pinacol Ester |
CAS: |
1083326-46-8 |
Synonyms: |
2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-pyrazolyl]acetamide; 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]acetamide |
IUPAC Name: | 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]acetamide |
Description: | 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-1-acetamide, can be used in the preparation of pharmaceutical and biologically active compounds, including inhibitors and therapeutic agents. |
Molecular Weight: | 251.09 |
Molecular Formula: | C11H18N3O3B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)CC(=O)N |
InChI: | InChI=1S/C11H18BN3O3/c1-10(2)11(3,4)18-12(17-10)8-5-14-15(6-8)7-9(13)16/h5-6H,7H2,1-4H3,(H2,13,16) |
InChI Key: | XFYVLZVRMQJRCB-UHFFFAOYSA-N |
MDL: | MFCD16660236 |
LogP: | 0.36790 |
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 |
WO-2021021893-A1 | Compounds for use in treating neurological disorders | 20190729 |
US-2021101872-A1 | C-abl tyrosine kinase inhibitory compound embodiments and methods of making and using the same | 20180309 |
CN-112218857-A | P300/CBP HAT inhibitors and methods of use thereof | 20180216 |
US-2021115008-A1 | P300/cbp hat inhibitors | 20180216 |
WO-2019113190-A1 | Bicyclic fused pyridine compounds as inhibitors of tam kinases | 20171207 |
Complexity: | 332 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 251.1441216 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 251.1441216 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 79.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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