1-[1-(3-Chlorophenyl)-1H-pyrazol-4-yl]ethanone - CAS 925142-81-0
Catalog: |
BB040551 |
Product Name: |
1-[1-(3-Chlorophenyl)-1H-pyrazol-4-yl]ethanone |
CAS: |
925142-81-0 |
Synonyms: |
1-[1-(3-chlorophenyl)pyrazol-4-yl]ethanone |
IUPAC Name: | 1-[1-(3-chlorophenyl)pyrazol-4-yl]ethanone |
Description: | 1-[1-(3-Chlorophenyl)-1H-pyrazol-4-yl]ethanone (CAS# 925142-81-0) is a useful research chemical. |
Molecular Weight: | 220.65 |
Molecular Formula: | C11H9ClN2O |
Canonical SMILES: | CC(=O)C1=CN(N=C1)C2=CC(=CC=C2)Cl |
InChI: | InChI=1S/C11H9ClN2O/c1-8(15)9-6-13-14(7-9)11-4-2-3-10(12)5-11/h2-7H,1H3 |
InChI Key: | ZSSJNSCNNBHHQV-UHFFFAOYSA-N |
Boiling Point: | 353.936 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.269 g/cm3 |
MDL: | MFCD08691478 |
LogP: | 2.72830 |
Publication Number | Title | Priority Date |
EP-2978751-A1 | Tetrahydroisoquinolines containing substituted azoles as factor xia inhibitors | 20130325 |
EP-2978751-B1 | Tetrahydroisoquinolines containing substituted azoles as factor xia inhibitors | 20130325 |
ES-2712699-T3 | Tetrahydroisoquinolines containing substituted azoles as inhibitors of factor XIa | 20130325 |
JP-2016519096-A | Substituted azole-containing tetrahydroisoquinolines as factor XIA inhibitors | 20130325 |
JP-6479763-B2 | Substituted azole containing tetrahydroisoquinolines as factor XIA inhibitors | 20130325 |
Complexity: | 247 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 220.0403406 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 220.0403406 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 34.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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