Ethyl 5-Bromo-1-methylpyrazole-4-carboxylate - CAS 105486-72-4
Catalog: |
BB001654 |
Product Name: |
Ethyl 5-Bromo-1-methylpyrazole-4-carboxylate |
CAS: |
105486-72-4 |
Synonyms: |
5-bromo-1-methyl-4-pyrazolecarboxylic acid ethyl ester; ethyl 5-bromo-1-methylpyrazole-4-carboxylate |
IUPAC Name: | ethyl 5-bromo-1-methylpyrazole-4-carboxylate |
Description: | Ethyl 5-Bromo-1-methylpyrazole-4-carboxylate (CAS# 105486-72-4 ) is a useful research chemical. |
Molecular Weight: | 233.06 |
Molecular Formula: | C7H9BrN2O2 |
Canonical SMILES: | CCOC(=O)C1=C(N(N=C1)C)Br |
InChI: | InChI=1S/C7H9BrN2O2/c1-3-12-7(11)5-4-9-10(2)6(5)8/h4H,3H2,1-2H3 |
InChI Key: | OMQVPOJHVUMCGK-UHFFFAOYSA-N |
Boiling Point: | 290.717 °C at 760 mmHg |
Density: | 1.588 g/cm3 |
LogP: | 1.35930 |
Publication Number | Title | Priority Date |
US-2020323904-A1 | 3-substituted piperidine compounds for cbl-b inhibition, and use of a cbl-b inhibitor in combination with a cancer vaccine and/or oncolytic virus | 20190409 |
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Complexity: | 177 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 231.98474 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 231.98474 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 44.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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