1-Ethylpyrazole-5-boronic Acid Pinacol Ester - CAS 1007110-53-3
Catalog: |
BB000307 |
Product Name: |
1-Ethylpyrazole-5-boronic Acid Pinacol Ester |
CAS: |
1007110-53-3 |
Synonyms: |
1-ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole; 1-ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole |
IUPAC Name: | 1-ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole |
Description: | 1-Ethylpyrazole-5-boronic Acid Pinacol Ester (CAS# 1007110-53-3) is a useful research chemical. |
Molecular Weight: | 222.09 |
Molecular Formula: | C11H19N2O2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC=NN2CC |
InChI: | InChI=1S/C11H19BN2O2/c1-6-14-9(7-8-13-14)12-15-10(2,3)11(4,5)16-12/h7-8H,6H2,1-5H3 |
InChI Key: | PKJCXHILXIEALN-UHFFFAOYSA-N |
Storage: | Inert atmosphere, Store in freezer, under -20 °C |
MDL: | MFCD16659009 |
LogP: | 1.20220 |
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-112851668-A | ATR inhibitor and application thereof in medicine | 20191127 |
US-2020270244-A1 | Pyrazolopyridines and triazolopyridines as a2a / a2b inhibitors | 20190129 |
WO-2020159905-A1 | Pyrazolopyridines and triazolopyridines as a2a / a2b inhibitors | 20190129 |
TW-202043226-A | Pyrazolopyridines and triazolopyridines as a2a / a2b inhibitors | 20190129 |
US-2020031835-A1 | Fused pyrazine derivatives as a2a / a2b inhibitors | 20180705 |
Complexity: | 255 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 222.1539580 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 222.1539580 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 36.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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