4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-1-acetic Acid - CAS 1083326-41-3
Catalog: |
BB002252 |
Product Name: |
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-1-acetic Acid |
CAS: |
1083326-41-3 |
Synonyms: |
2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-pyrazolyl]acetic acid; 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]acetic acid |
IUPAC Name: | 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]acetic acid |
Description: | 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-1-acetic Acid (CAS# 1083326-41-3) is a useful research chemical. |
Molecular Weight: | 252.07 |
Molecular Formula: | C11H17N2O4B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)CC(=O)O |
InChI: | InChI=1S/C11H17BN2O4/c1-10(2)11(3,4)18-12(17-10)8-5-13-14(6-8)7-9(15)16/h5-6H,7H2,1-4H3,(H,15,16) |
InChI Key: | IBRLSABGLKHIKN-UHFFFAOYSA-N |
MDL: | MFCD16660234 |
LogP: | 0.26690 |
Publication Number | Title | Priority Date |
US-2020361939-A1 | Modulators of alpha-1 antitrypsin | 20190514 |
TW-201506015-A | Hydrate of hydrazine compound and its crystallization | 20130315 |
WO-2014001802-A1 | 2-aminopyrazine derivatives as csf-1 r kinase inhibitors | 20120626 |
MX-2014000867-A | REPLACED KINOLINES AND ITS USE AS MEDICINES. | 20110726 |
ES-2558742-T3 | Benzoxepine PI3K inhibitor compounds and methods of use | 20090928 |
Complexity: | 332 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 252.1281372 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 252.1281372 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 73.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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