3-(4-Bromophenyl)-1-phenylpyrazole-4-propionic acid - CAS 108446-80-6
Catalog: |
BB002265 |
Product Name: |
3-(4-Bromophenyl)-1-phenylpyrazole-4-propionic acid |
CAS: |
108446-80-6 |
Synonyms: |
3-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]propanoic acid |
IUPAC Name: | 3-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]propanoic acid |
Description: | 3-(4-Bromophenyl)-1-phenylpyrazole-4-propionic acid (CAS# 108446-80-6) is a useful research chemical. |
Molecular Weight: | 371.23 |
Molecular Formula: | C18H15BrN2O2 |
Canonical SMILES: | C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Br)CCC(=O)O |
InChI: | InChI=1S/C18H15BrN2O2/c19-15-9-6-13(7-10-15)18-14(8-11-17(22)23)12-21(20-18)16-4-2-1-3-5-16/h1-7,9-10,12H,8,11H2,(H,22,23) |
InChI Key: | XQKUUAKMGDILQK-UHFFFAOYSA-N |
LogP: | 4.31900 |
Publication Number | Title | Priority Date |
AU-2009233711-A1 | Inhibitors of fatty acid amide hydrolase | 20080409 |
AU-2009233711-B2 | Inhibitors of fatty acid amide hydrolase | 20080409 |
CA-2721060-A1 | Inhibitors of fatty acid amide hydrolase | 20080409 |
CN-102046179-A | Inhibitors of fatty acid amide hydrolase | 20080409 |
CN-102046179-B | Inhibitors of fatty acid amide hydrolase | 20080409 |
Complexity: | 393 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 370.03169 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 370.03169 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 55.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4 |
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