3-Ethyl-4-iodo-1H-pyrazole - CAS 442876-19-9
Catalog: |
BB025559 |
Product Name: |
3-Ethyl-4-iodo-1H-pyrazole |
CAS: |
442876-19-9 |
Synonyms: |
5-ethyl-4-iodo-1H-pyrazole; 5-ethyl-4-iodo-1H-pyrazole |
IUPAC Name: | 5-ethyl-4-iodo-1H-pyrazole |
Description: | 3-Ethyl-4-iodo-1H-pyrazole (CAS# 442876-19-9) is a useful research chemical compound. |
Molecular Weight: | 222.03 |
Molecular Formula: | C5H7IN2 |
Canonical SMILES: | CCC1=C(C=NN1)I |
InChI: | InChI=1S/C5H7IN2/c1-2-5-4(6)3-7-8-5/h3H,2H2,1H3,(H,7,8) |
InChI Key: | LJHHAGBAOGUEQO-UHFFFAOYSA-N |
LogP: | 1.57670 |
Publication Number | Title | Priority Date |
AU-2018270685-A1 | Novel compounds as autotaxin inhibitors and pharmaceutical compositions comprising the same | 20170517 |
AU-2018270685-B2 | Novel compounds as autotaxin inhibitors and pharmaceutical compositions comprising the same | 20170517 |
AU-2020203594-A1 | Novel compounds as autotaxin inhibitors and pharmaceutical compositions comprising the same | 20170517 |
CA-3019980-A1 | Novel compounds as autotaxin inhibitors and pharmaceutical compositions comprising the same | 20170517 |
EP-3442973-A1 | Novel compounds as autotaxin inhibitors and pharmaceutical compositions comprising the same | 20170517 |
Complexity: | 76.8 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 221.9654 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 221.9654 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 28.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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