5-Iodo-1-methylpyrazole-4-carboxylic Acid - CAS 1198113-11-9
Catalog: |
BB004656 |
Product Name: |
5-Iodo-1-methylpyrazole-4-carboxylic Acid |
CAS: |
1198113-11-9 |
Synonyms: |
5-iodo-1-methyl-4-pyrazolecarboxylic acid; 5-iodo-1-methylpyrazole-4-carboxylic acid |
IUPAC Name: | 5-iodo-1-methylpyrazole-4-carboxylic acid |
Description: | 5-Iodo-1-methylpyrazole-4-carboxylic Acid (CAS# 1198113-11-9) is a useful research chemical. |
Molecular Weight: | 252.01 |
Molecular Formula: | C5H5IN2O2 |
Canonical SMILES: | CN1C(=C(C=N1)C(=O)O)I |
InChI: | InChI=1S/C5H5IN2O2/c1-8-4(6)3(2-7-8)5(9)10/h2H,1H3,(H,9,10) |
InChI Key: | YQONFGNSPOSWEI-UHFFFAOYSA-N |
LogP: | 0.72290 |
Publication Number | Title | Priority Date |
EP-3555093-A1 | Inhibitors of rip1 kinase and methods of use thereof | 20161216 |
JP-2020502146-A | RIP1 kinase inhibitors and methods of use | 20161216 |
TW-201827431-A | RIP1 kinase inhibitor and method of use thereof | 20161216 |
US-2018170927-A1 | Inhibitors of rip1 kinase and methods of use thereof | 20161216 |
WO-2018109097-A1 | Inhibitors of rip1 kinase and methods of use thereof | 20161216 |
Complexity: | 153 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 251.93957 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 251.93957 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 55.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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