3-Chloro-5-methylpyrazole - CAS 15953-45-4
Catalog: |
BB011543 |
Product Name: |
3-Chloro-5-methylpyrazole |
CAS: |
15953-45-4 |
Synonyms: |
3-chloro-5-methyl-1H-pyrazole; 3-chloro-5-methyl-1H-pyrazole |
IUPAC Name: | 3-chloro-5-methyl-1H-pyrazole |
Description: | 3-Chloro-5-methylpyrazole (CAS# 15953-45-4) is a useful research chemical. |
Molecular Weight: | 116.55 |
Molecular Formula: | C4H5ClN2 |
Canonical SMILES: | CC1=CC(=NN1)Cl |
InChI: | InChI=1S/C4H5ClN2/c1-3-2-4(5)7-6-3/h2H,1H3,(H,6,7) |
InChI Key: | HUKMIFHEPZRLMM-UHFFFAOYSA-N |
Boiling Point: | 259.1 °C at 760 mmHg |
Density: | 1.306 g/cm3 |
MDL: | MFCD00233972 |
LogP: | 1.37150 |
Publication Number | Title | Priority Date |
WO-2021084500-A1 | Fluorinated quinoline and quinoxaline derivatives as dihydroorotate dehydrogenase (dhodh) inhibitors for the treatment of cancer, autoimmune and inflammatory diseases | 20191101 |
WO-2020172258-A1 | Modulators of myc family proto-oncogene protein | 20190219 |
WO-2020139988-A1 | Compositions for inhibiting ubiquitin specific protease 1 | 20181228 |
CN-113474346-A | Composition for inhibiting ubiquitin-specific protease 1 | 20181228 |
WO-2019112269-A1 | Pyrrolo(pyrazolo)pyrimidine derivative as lrrk2 inhibitor | 20171205 |
Complexity: | 66.7 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 116.0141259 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 116.0141259 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 28.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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