1-Boc-1H-pyrazole-5-boronic Acid - CAS 1217500-54-3
Catalog: |
BB005258 |
Product Name: |
1-Boc-1H-pyrazole-5-boronic Acid |
CAS: |
1217500-54-3 |
Synonyms: |
[2-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-pyrazolyl]boronic acid; [2-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-3-yl]boronic acid |
IUPAC Name: | [2-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-3-yl]boronic acid |
Description: | 1-Boc-1H-pyrazole-5-boronic Acid (CAS# 1217500-54-3) is a useful research chemical. |
Molecular Weight: | 212.01 |
Molecular Formula: | C8H13N2O4B |
Canonical SMILES: | B(C1=CC=NN1C(=O)OC(C)(C)C)(O)O |
InChI: | InChI=1S/C8H13BN2O4/c1-8(2,3)15-7(12)11-6(9(13)14)4-5-10-11/h4-5,13-14H,1-3H3 |
InChI Key: | BMAIJKCROWPJPY-UHFFFAOYSA-N |
Storage: | Sealed in dry, Store in freezer, under -20 ℃ |
MDL: | MFCD12025961 |
LogP: | -0.65390 |
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-2021097057-A1 | 5-membered heteroarylaminosulfonamides for treating conditions mediated by deficient cftr activity | 20191112 |
CN-110734437-A | Pyrazolopyrimidine compounds, pharmaceutical compositions and uses thereof | 20180719 |
US-2019322658-A1 | Antiproliferation compounds and uses thereof | 20180424 |
WO-2019209759-A1 | Antiproliferation compounds and uses thereof | 20180424 |
AU-2019261308-A1 | Antiproliferation compounds and uses thereof | 20180424 |
Complexity: | 241 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 212.0968371 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 212.0968371 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 84.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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