1-Boc-3-methyl-1H-pyrazole-5-boronic Acid - CAS 1217501-27-3
Catalog: |
BB005263 |
Product Name: |
1-Boc-3-methyl-1H-pyrazole-5-boronic Acid |
CAS: |
1217501-27-3 |
Synonyms: |
[5-methyl-2-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-pyrazolyl]boronic acid; [5-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-3-yl]boronic acid |
IUPAC Name: | [5-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-3-yl]boronic acid |
Description: | 1-Boc-3-methyl-1H-pyrazole-5-boronic Acid (CAS# 1217501-27-3) is a useful research chemical. |
Molecular Weight: | 226.04 |
Molecular Formula: | C9H15N2O4B |
Canonical SMILES: | B(C1=CC(=NN1C(=O)OC(C)(C)C)C)(O)O |
InChI: | InChI=1S/C9H15BN2O4/c1-6-5-7(10(14)15)12(11-6)8(13)16-9(2,3)4/h5,14-15H,1-4H3 |
InChI Key: | JCGANVBFCXPIOL-UHFFFAOYSA-N |
Storage: | Inert atmosphere, Store in freezer, under -20 °C |
MDL: | MFCD15143457 |
LogP: | -0.34550 |
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-2021183439-A1 | Substituted furo[3,2-d]pyrimidines and uses thereof | 20200309 |
WO-2021146192-A1 | Substituted pyrazolo-pyrimidines and uses thereof | 20200113 |
WO-2020049017-A1 | 5-morpholin-4-yl-pyrazolo[4,3-b]pyridine derivatives | 20180907 |
CN-112654396-A | 5-morpholin-4-yl-pyrazolo [4,3-b ] pyridine derivatives | 20180907 |
EP-3846904-A1 | 5-morpholin-4-yl-pyrazolo[4,3-b]pyridine derivatives | 20180907 |
Complexity: | 267 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 226.1124871 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 226.1124871 |
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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