| CAS Number | 121303-75-1 |
| Catalog Number | AG009C4B(AGN-PC-001Z0O) |
| Chemical Name | 5-(Difluoromethyl)-1-methyl-1H-pyrazol-3(2H)-one |
| IUPAC Name | 3-(difluoromethyl)-2-methyl-1H-pyrazol-5-one |
| InChI | InChI=1S/C5H6F2N2O/c1-9-3(5(6)7)2-4(10)8-9/h2,5H,1H3,(H,8,10) |
| InChI Key | ZIJFHJQWPWLQON-UHFFFAOYSA-N |
| MDL Number | MFCD18382508 |
| Molecular Formula | C5H6F2N2O |
| Molecular Weight | 148.1107 |
| SMILES | FC(C1=CC(NN1C)=O)F |
| Synonyms | 5-(difluoromethyl)-1-methyl-1h-pyrazol-3-ol,
121303-75-1,
5-(difluoromethyl)-1-methyl-1H-pyrazol-3(2H)-one,
SCHEMBL10473136,
ZIJFHJQWPWLQON-UHFFFAOYSA-N,
MFCD18382508,
ZINC34329981,
AKOS025401961,
AKOS030527097,
AC-27619,
5-Difluoromethyl-3-hydroxy-1-methylpyrazole,
|
| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 148.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 148.113g/mol |
| Monoisotopic Mass | 148.045g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number