Ethyl 4-Bromopyrazole-3-carboxylate - CAS 5932-34-3
Catalog: |
BB030346 |
Product Name: |
Ethyl 4-Bromopyrazole-3-carboxylate |
CAS: |
5932-34-3 |
Synonyms: |
4-bromo-1H-pyrazole-5-carboxylic acid ethyl ester; ethyl 4-bromo-1H-pyrazole-5-carboxylate |
IUPAC Name: | ethyl 4-bromo-1H-pyrazole-5-carboxylate |
Description: | Ethyl 4-Bromopyrazole-3-carboxylate (CAS# 5932-34-3) is a useful research chemical. |
Molecular Weight: | 219.04 |
Molecular Formula: | C6H7BrN2O2 |
Canonical SMILES: | CCOC(=O)C1=C(C=NN1)Br |
InChI: | InChI=1S/C6H7BrN2O2/c1-2-11-6(10)5-4(7)3-8-9-5/h3H,2H2,1H3,(H,8,9) |
InChI Key: | YTIXVTQCUMGIBZ-UHFFFAOYSA-N |
Boiling Point: | 531.6 °C at 760 mmHg |
Density: | 1.094 g/cm3 |
MDL: | MFCD10697501 |
LogP: | 1.34890 |
Publication Number | Title | Priority Date |
AU-2018210525-A1 | Chemical compounds as inhibitors of interleukin-1 activity | 20170123 |
EP-3571187-A1 | Chemical compounds as inhibitors of interleukin-1 activity | 20170123 |
JP-2020505381-A | Chemical compounds as inhibitors of interleukin-1 activity | 20170123 |
KR-20190111068-A | Chemical Compounds as Inhibitors of Interleukin-1 Activity | 20170123 |
TW-201837021-A | a compound that acts as an inhibitor of interleukin-1 activity | 20170123 |
Complexity: | 154 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 217.96909 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 217.96909 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 55 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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