Benzyl 5-Methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxylate - CAS 913376-49-5
Catalog: |
BB040126 |
Product Name: |
Benzyl 5-Methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxylate |
CAS: |
913376-49-5 |
Synonyms: |
5-methyl-3-oxo-2-phenyl-1H-pyrazole-4-carboxylic acid (phenylmethyl) ester; benzyl 5-methyl-3-oxo-2-phenyl-1H-pyrazole-4-carboxylate |
IUPAC Name: | benzyl 5-methyl-3-oxo-2-phenyl-1H-pyrazole-4-carboxylate |
Description: | Benzyl 5-Methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxylate (CAS# 913376-49-5 ) is a useful research chemical. |
Molecular Weight: | 308.33 |
Molecular Formula: | C18H16N2O3 |
Canonical SMILES: | CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(=O)OCC3=CC=CC=C3 |
InChI: | InChI=1S/C18H16N2O3/c1-13-16(18(22)23-12-14-8-4-2-5-9-14)17(21)20(19-13)15-10-6-3-7-11-15/h2-11,19H,12H2,1H3 |
InChI Key: | FKOQVLSTVAVHGR-UHFFFAOYSA-N |
LogP: | 2.83100 |
Publication Number | Title | Priority Date |
AU-2008205252-A1 | Bis-aryl amide derivatives useful for the treatment of cancer | 20070109 |
AU-2008205252-B2 | Bis-aryl amide derivatives useful for the treatment of cancer | 20070109 |
CA-2673652-A1 | Bis-aryl amide derivatives and methods of use | 20070109 |
EP-2118069-A2 | Bis-aryl amide derivatives useful for the treatment of cancer | 20070109 |
EP-2118069-B1 | Bis-aryl amide derivatives useful for the treatment of cancer | 20070109 |
Complexity: | 489 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 308.11609238 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 308.11609238 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 58.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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