5-(chloromethyl)-1,3-dimethyl-1H-pyrazole - CAS 852227-86-2
Catalog: |
BB037537 |
Product Name: |
5-(chloromethyl)-1,3-dimethyl-1H-pyrazole |
CAS: |
852227-86-2 |
Synonyms: |
5-(chloromethyl)-1,3-dimethylpyrazole; 5-(chloromethyl)-1,3-dimethylpyrazole |
IUPAC Name: | 5-(chloromethyl)-1,3-dimethylpyrazole |
Description: | 5-(chloromethyl)-1,3-dimethyl-1H-pyrazole (CAS# 852227-86-2) is a useful research chemical. |
Molecular Weight: | 144.60 |
Molecular Formula: | C6H9ClN2 |
Canonical SMILES: | CC1=NN(C(=C1)CCl)C |
InChI: | InChI=1S/C6H9ClN2/c1-5-3-6(4-7)9(2)8-5/h3H,4H2,1-2H3 |
InChI Key: | SGEZKPNUNBVVLB-UHFFFAOYSA-N |
Boiling Point: | 225.8 °C at 760 mmHg |
Purity: | 98 % |
Density: | 1.17 g/cm3 |
Appearance: | Solid |
MDL: | MFCD07368502 |
LogP: | 1.46730 |
Publication Number | Title | Priority Date |
WO-2020249785-A1 | Substituted heteroaromatic pyrazolo-pyridines and their use as glun2b receptor modulators | 20190614 |
US-2021017169-A1 | Substituted heteroaromatic pyrazolo-pyridines and their use as glun2b receptor modulators | 20190614 |
CN-110770214-A | Heterocyclic P2X7 antagonists | 20170503 |
EP-3398941-A1 | Heterocyclic p2x7 antagonists | 20170503 |
EP-3619200-A1 | Heterocyclic p2x7 antagonists | 20170503 |
PMID | Publication Date | Title | Journal |
21589166 | 20101031 | 5-Chloro-methyl-1,3-dimethyl-1H-pyrazole | Acta crystallographica. Section E, Structure reports online |
Complexity: | 97.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 144.045426 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 144.045426 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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