4-Iodo-1-methyl-1H-pyrazole-3-carboxylic Acid - CAS 6647-98-9
Catalog: |
BB033039 |
Product Name: |
4-Iodo-1-methyl-1H-pyrazole-3-carboxylic Acid |
CAS: |
6647-98-9 |
Synonyms: |
4-iodo-1-methyl-3-pyrazolecarboxylic acid; 4-iodo-1-methylpyrazole-3-carboxylic acid |
IUPAC Name: | 4-iodo-1-methylpyrazole-3-carboxylic acid |
Description: | 4-Iodo-1-methyl-1H-pyrazole-3-carboxylic Acid (CAS# 6647-98-9) 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/c1-8-2-3(6)4(7-8)5(9)10/h2H,1H3,(H,9,10) |
InChI Key: | UQPXGRAYQOWZOD-UHFFFAOYSA-N |
LogP: | 0.72290 |
Publication Number | Title | Priority Date |
AU-2017217931-A1 | Halo-substituted piperidines as orexin receptor modulators | 20160212 |
EP-3414241-A1 | Halo-substituted piperidines as orexin receptor modulators | 20160212 |
JP-2019511466-A | Halo substituted piperidines as orexin receptor modulators | 20160212 |
KR-20180107232-A | The halo-substituted piperidine as an orexin receptor modulator | 20160212 |
TW-201731835-A | Halogen-substituted hexahydropyridine as an orexin receptor modulator | 20160212 |
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: | 0.7 |
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