1-(4-Chlorophenyl)-3-methyl-2-pyrazolin-5-one - CAS 13024-90-3
Catalog: |
BB007070 |
Product Name: |
1-(4-Chlorophenyl)-3-methyl-2-pyrazolin-5-one |
CAS: |
13024-90-3 |
Synonyms: |
2-(4-chlorophenyl)-5-methyl-4H-pyrazol-3-one |
IUPAC Name: | 2-(4-chlorophenyl)-5-methyl-4H-pyrazol-3-one |
Description: | 1-(4-Chlorophenyl)-3-methyl-2-pyrazolin-5-one (CAS# 13024-90-3 ) is a useful research chemical. |
Molecular Weight: | 208.64 |
Molecular Formula: | C10H9ClN2O |
Canonical SMILES: | CC1=NN(C(=O)C1)C2=CC=C(C=C2)Cl |
InChI: | InChI=1S/C10H9ClN2O/c1-7-6-10(14)13(12-7)9-4-2-8(11)3-5-9/h2-5H,6H2,1H3 |
InChI Key: | WHIXQFSPEDIMGL-UHFFFAOYSA-N |
Boiling Point: | 325.9 °C at 760 mmHg |
Density: | 1.306 g/cm3 |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD00043814 |
LogP: | 1.95320 |
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PMID | Publication Date | Title | Journal |
21139328 | 20110101 | Pulse radiolysis study on free radical scavenger edaravone (3-methyl-1-phenyl-2-pyrazolin-5-one). 2: A comparative study on edaravone derivatives | Journal of radiation research |
17850126 | 20071018 | New series of antiprion compounds: pyrazolone derivatives have the potent activity of inhibiting protease-resistant prion protein accumulation | Journal of medicinal chemistry |
17223347 | 20070301 | High-throughput assay for the identification of Hsp90 inhibitors based on Hsp90-dependent refolding of firefly luciferase | Bioorganic & medicinal chemistry |
Complexity: | 269 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 208.0403406 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 208.0403406 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 32.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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Pyrazoles
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