1,2-Dihydro-2,5-diphenyl-3H-pyrazol-3-one - CAS 6632-05-9
Catalog: |
BB055803 |
Product Name: |
1,2-Dihydro-2,5-diphenyl-3H-pyrazol-3-one |
CAS: |
6632-05-9 |
Synonyms: |
2,5-Diphenyl-1,2-dihydro-3H-pyrazol-3-one |
IUPAC Name: | 2,5-diphenyl-1H-pyrazol-3-one |
Description: | 1,2-Dihydro-2,5-diphenyl-3H-pyrazol-3-one is used as a reactant in the synthesis of 1H-pyrazol-3(2H)-ones as potent and selective inhibitors of protein kinase R-like endoplasmic reticulum kinase. |
Molecular Weight: | 236.27 |
Molecular Formula: | C15H12N2O |
Canonical SMILES: | C1=CC=C(C=C1)C2=CC(=O)N(N2)C3=CC=CC=C3 |
InChI: | InChI=1S/C15H12N2O/c18-15-11-14(12-7-3-1-4-8-12)16-17(15)13-9-5-2-6-10-13/h1-11,16H |
InChI Key: | XUGMZXWEBJJQID-UHFFFAOYSA-N |
References: | Smith, Adrian L., et al. J. of Med. Chem., 58(3), 1426-1441 (2015). |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P317, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-3828159-A1 | Storage and transport stabilizers for polymerizable compounds | 20191128 |
CN-108997365-B | Series catalytic preparation method of chiral pyrazole spirofuran compound | 20180829 |
CN-109020987-B | Iodine medium preparation method of chiral pyrazole spirofuran compound | 20180829 |
WO-2019074736-A1 | COMPONENTS FOR COLORING KERATIN, COMPOSITIONS CONTAINING THEM, AND METHODS AND USE THEREOF | 20171013 |
US-2020247749-A1 | Keratin dyeing compounds, compositions containing them, and method and use thereof | 20171013 |
US-11142498-B2 | Keratin dyeing compounds, compositions containing them, and method and use thereof | 20171013 |
CN-107382867-B | 4-isothiocyanato pyrazolones | 20170703 |
EP-3512604-A1 | Stable yellow imidazolium compounds and methods for their use | 20160916 |
US-10034823-B2 | Method of coloring hair with washfast blue imidazolium direct dye compounds | 20160916 |
US-10093807-B2 | Stable yellow imidazolium compounds | 20160916 |
PMID | Publication Date | Title | Journal |
22589890 | 20120401 | 1,3-Diphenyl-4,5-dihydro-1H-pyrazol-5-one | Acta crystallographica. Section E, Structure reports online |
21733686 | 20110801 | Antiproliferative activity and QSAR studies of a series of new 4-aminomethylidene derivatives of some pyrazol-5-ones | Bioorganic & medicinal chemistry letters |
20890644 | 20110101 | A new fluorescent sensor based on 1H-pyrazolo[3,4-b]quinoline skeleton. Part 2 | Journal of fluorescence |
16043052 | 20050901 | Synthesis and spectroscopic study on photochromism of a new thiosemicarbazone compound containing pyrazolone | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
Complexity: | 338 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 236.094963011 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 236.094963011 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 32.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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