1-Isopentyl-1H-pyrazole-5-boronic acid, pinacol ester - CAS 847818-77-3
Catalog: |
BB063666 |
Product Name: |
1-Isopentyl-1H-pyrazole-5-boronic acid, pinacol ester |
CAS: |
847818-77-3 |
Synonyms: |
1-(3-METHYLBUTYL)-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOLE; 1-ISOPENTYL-1H-PYRAZOLE-5-BORONIC ACID, PINACOL ESTER; 1-(3-methylbutyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole; 1-Isopentyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole |
IUPAC Name: | 1-(3-methylbutyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole |
Description: | 1-Isopentyl-1H-pyrazole-5-boronic acid, pinacol ester |
Molecular Weight: | 264.17 |
Molecular Formula: | C14H25BN2O2 |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC=NN2CCC(C)C |
InChI: | InChI=1S/C14H25BN2O2/c1-11(2)8-10-17-12(7-9-16-17)15-18-13(3,4)14(5,6)19-15/h7,9,11H,8,10H2,1-6H3 |
InChI Key: | GUIPYLOXXJTKQD-UHFFFAOYSA-N |
Complexity: | 305 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 264.2009082 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 264.2009082 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 36.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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