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29211-49-2 | 3-methyl-1-(pyridin-2-yl)-4,5-dihydro-1H-pyrazol-5-one
CAS No: 29211-49-2 Catalog No: AG01BUTU MDL No:MFCD00466109
Product Description
Catalog Number:
AG01BUTU
Chemical Name:
3-methyl-1-(pyridin-2-yl)-4,5-dihydro-1H-pyrazol-5-one
CAS Number:
29211-49-2
MDL Number:
MFCD00466109
IUPAC Name:
5-methyl-2-pyridin-2-yl-4H-pyrazol-3-one
InChI:
InChI=1S/C9H9N3O/c1-7-6-9(13)12(11-7)8-4-2-3-5-10-8/h2-5H,6H2,1H3
InChI Key:
YRMYSKQWKJIJMR-UHFFFAOYSA-N
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.075g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.191g/mol
Monoisotopic Mass:
175.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
Literature
| Title | Journal |
|---|---|
| Hydroxyl radical scavenging by edaravone derivatives: Efficient scavenging by 3-methyl-1-(pyridin-2-yl)-5-pyrazolone with an intramolecular base. | Bioorganic & medicinal chemistry letters 20061201 |
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