1-Methyl-3-(trifluoromethyl)-1H-pyrazole - CAS 154471-65-5
Catalog: |
BB011017 |
Product Name: |
1-Methyl-3-(trifluoromethyl)-1H-pyrazole |
CAS: |
154471-65-5 |
Synonyms: |
1-methyl-3-(trifluoromethyl)pyrazole; 1-methyl-3-(trifluoromethyl)pyrazole |
IUPAC Name: | 1-methyl-3-(trifluoromethyl)pyrazole |
Description: | 1-Methyl-3-(trifluoromethyl)-1H-pyrazole (CAS# 154471-65-5) is a useful research chemical. |
Molecular Weight: | 150.10 |
Molecular Formula: | C5H5F3N2 |
Canonical SMILES: | CN1C=CC(=N1)C(F)(F)F |
InChI: | InChI=1S/C5H5F3N2/c1-10-3-2-4(9-10)5(6,7)8/h2-3H,1H3 |
InChI Key: | MQSLINQSJFALSP-UHFFFAOYSA-N |
Boiling Point: | 82 ℃ |
Density: | 1.32 g/cm3 |
MDL: | MFCD00179867 |
LogP: | 1.43890 |
Publication Number | Title | Priority Date |
TW-201734005-A | Novel compound for treating fibrosis and pharmaceutical composition thereof | 20160304 |
US-2016243100-A1 | 4-Methylsulfonyl-Substituted Piperidine Urea Compounds | 20150122 |
WO-2015135094-A1 | Therapeutic compounds and uses thereof | 20140313 |
US-8957208-B1 | Heteroleptic iridium complex bearing diazolate chelate | 20140115 |
WO-2015103133-A1 | Serine/threonine kinase inhibitors | 20131230 |
PMID | Publication Date | Title | Journal |
20161838 | 20080927 | Inhibition of inducible nitric oxide synthase expression by a novel small molecule activator of the unfolded protein response | Current chemical genomics |
Complexity: | 123 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 150.04048265 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 150.04048265 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 17.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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