| CAS Number | 111988-01-3 |
| Catalog Number | AG01A5SH(AGN-PC-00098N) |
| Chemical Name | 3-methyl-1-(pyridin-4-yl)-4,5-dihydro-1H-pyrazol-5-one |
| IUPAC Name | 5-methyl-2-pyridin-4-yl-4H-pyrazol-3-one |
| InChI | InChI=1S/C9H9N3O/c1-7-6-9(13)12(11-7)8-2-4-10-5-3-8/h2-5H,6H2,1H3 |
| InChI Key | YSMLZDQGVXJJSJ-UHFFFAOYSA-N |
| MDL Number | MFCD12134544 |
| Molecular Formula | C9H9N3O |
| Molecular Weight | 175.1873 |
| SMILES | CC1CC(=O)N(C2=CC=NC=C2)N=1 |
| Synonyms | 111988-01-3,
3-methyl-1-(pyridin-4-yl)-4,5-dihydro-1H-pyrazol-5-one,
SCHEMBL3264599,
3-methyl-1-(pyridin-4-yl)-1H-pyrazol-5(4H)-one,
|
| Complexity | 243 |
| 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 | 0.2 |
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Certificate of Analysis
Lot Number