Ethyl 4-Bromo-1-methyl-3-[(methylamino)methyl]pyrazole-5-carboxylate - CAS 1454848-20-4
Catalog: |
BB009960 |
Product Name: |
Ethyl 4-Bromo-1-methyl-3-[(methylamino)methyl]pyrazole-5-carboxylate |
CAS: |
1454848-20-4 |
Synonyms: |
4-bromo-2-methyl-5-(methylaminomethyl)-3-pyrazolecarboxylic acid ethyl ester; ethyl 4-bromo-2-methyl-5-(methylaminomethyl)pyrazole-3-carboxylate |
IUPAC Name: | ethyl 4-bromo-2-methyl-5-(methylaminomethyl)pyrazole-3-carboxylate |
Description: | Ethyl 4-Bromo-1-methyl-3-[(methylamino)methyl]pyrazole-5-carboxylate (CAS# 1454848-20-4 ) is a useful research chemical. |
Molecular Weight: | 276.13 |
Molecular Formula: | C9H14BrN3O2 |
Canonical SMILES: | CCOC(=O)C1=C(C(=NN1C)CNC)Br |
InChI: | InChI=1S/C9H14BrN3O2/c1-4-15-9(14)8-7(10)6(5-11-2)12-13(8)3/h11H,4-5H2,1-3H3 |
InChI Key: | NYGLUNLIFMOROI-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
US-2016115178-A1 | Solid forms of a macrocyclic kinase inhibitor | 20130628 |
US-9637500-B2 | Solid forms of a macrocyclic kinase inhibitor | 20130628 |
EP-2822953-B1 | Macrocyclic derivatives for the treatment of proliferative diseases | 20120306 |
EP-2822953-B9 | Macrocyclic derivatives for the treatment of proliferative diseases | 20120306 |
US-2013252961-A1 | Macrocyclic derivatives for the treatment of diseases | 20120306 |
Complexity: | 227 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 275.02694 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 275.02694 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 56.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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