1-Boc-4-(hydroxymethyl)pyrazole - CAS 199003-22-0
Catalog: |
BB015371 |
Product Name: |
1-Boc-4-(hydroxymethyl)pyrazole |
CAS: |
199003-22-0 |
Synonyms: |
4-(hydroxymethyl)-1-pyrazolecarboxylic acid tert-butyl ester; tert-butyl 4-(hydroxymethyl)pyrazole-1-carboxylate |
IUPAC Name: | tert-butyl 4-(hydroxymethyl)pyrazole-1-carboxylate |
Description: | 1-Boc-4-(hydroxymethyl)pyrazole (CAS# 199003-22-0) is a useful research chemical. |
Molecular Weight: | 198.22 |
Molecular Formula: | C9H14N2O3 |
Canonical SMILES: | CC(C)(C)OC(=O)N1C=C(C=N1)CO |
InChI: | InChI=1S/C9H14N2O3/c1-9(2,3)14-8(13)11-5-7(6-12)4-10-11/h4-5,12H,6H2,1-3H3 |
InChI Key: | CIPRBVVWJSJWBE-UHFFFAOYSA-N |
LogP: | 1.15860 |
Publication Number | Title | Priority Date |
WO-2021190727-A1 | Compounds and their use in the treatment of bacterial infection | 20200324 |
WO-2021127499-A1 | Protein tyrosine phosphatase inhibitors and methods of use thereof | 20191218 |
US-11077101-B1 | Compounds and methods of use | 20180718 |
TW-202016082-A | Protein tyrosine phosphatase inhibitor and method of use | 20180621 |
CA-3104507-A1 | Protein tyrosine phosphatase inhibitors and methods of use thereof | 20180621 |
Complexity: | 213 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 198.10044231 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 198.10044231 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 64.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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