4-Bromo-1-(difluoromethyl)-5-methyl-1H-pyrazole - CAS 1243250-04-5
Catalog: |
BB005875 |
Product Name: |
4-Bromo-1-(difluoromethyl)-5-methyl-1H-pyrazole |
CAS: |
1243250-04-5 |
Synonyms: |
4-bromo-1-(difluoromethyl)-5-methylpyrazole |
IUPAC Name: | 4-bromo-1-(difluoromethyl)-5-methylpyrazole |
Description: | 4-Bromo-1-(difluoromethyl)-5-methyl-1H-pyrazole (CAS# 1243250-04-5) is a useful research chemical. |
Molecular Weight: | 211.01 |
Molecular Formula: | C5H5BrF2N2 |
Canonical SMILES: | CC1=C(C=NN1C(F)F)Br |
InChI: | InChI=1S/C5H5BrF2N2/c1-3-4(6)2-9-10(3)5(7)8/h2,5H,1H3 |
InChI Key: | SJHCIVMPLSTCOK-UHFFFAOYSA-N |
MDL: | MFCD17078896 |
LogP: | 2.34910 |
Publication Number | Title | Priority Date |
KR-20210079318-A | H4 antagonist compounds | 20181019 |
AU-2014342338-A1 | Aminoheteroaryl benzamides as kinase inhibitors | 20131101 |
AU-2014342338-B2 | Aminoheteroaryl benzamides as kinase inhibitors | 20131101 |
DK-3063143-T3 | Amino heteroaryl benzamides as kinase inhibitors | 20131101 |
EP-3063143-A1 | Aminoheteroaryl benzamides as kinase inhibitors | 20131101 |
Complexity: | 122 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 209.96042 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 209.96042 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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