1-Boc-4-bromo-3-methylpyrazole - CAS 1021919-24-3
Catalog: |
BB000805 |
Product Name: |
1-Boc-4-bromo-3-methylpyrazole |
CAS: |
1021919-24-3 |
Synonyms: |
4-bromo-3-methyl-1-pyrazolecarboxylic acid tert-butyl ester; tert-butyl 4-bromo-3-methylpyrazole-1-carboxylate |
IUPAC Name: | tert-butyl 4-bromo-3-methylpyrazole-1-carboxylate |
Description: | 1-Boc-4-bromo-3-methylpyrazole (CAS# 1021919-24-3) is a useful research chemical. |
Molecular Weight: | 261.12 |
Molecular Formula: | C9H13BrN2O2 |
Canonical SMILES: | CC1=NN(C=C1Br)C(=O)OC(C)(C)C |
InChI: | InChI=1S/C9H13BrN2O2/c1-6-7(10)5-12(11-6)8(13)14-9(2,3)4/h5H,1-4H3 |
InChI Key: | LRPOLTGTSAIHRO-UHFFFAOYSA-N |
Storage: | Sealed in dry, 2-8 °C |
LogP: | 2.73720 |
Publication Number | Title | Priority Date |
WO-2021093795-A1 | Rock inhibitor, preparation method therefor and use thereof | 20191115 |
AU-2014265279-A1 | Bipyrazole derivatives as JAK inhibitors | 20130517 |
AU-2014265279-B2 | Bipyrazole derivatives as JAK inhibitors | 20130517 |
AU-2018223058-A1 | Bipyrazole derivatives as jak inhibitors | 20130517 |
AU-2018223058-B2 | Bipyrazole derivatives as jak inhibitors | 20130517 |
Complexity: | 227 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 260.01604 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 260.01604 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 44.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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