| CAS Number | 1245771-97-4 |
| Catalog Number | AG01AOKO(AGN-PC-0WBD5J) |
| Chemical Name | 1-Methyl-3-(Trifluoromethyl)-1H-Pyrazole-5-Carboxamide |
| IUPAC Name | 2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide |
| InChI | InChI=1S/C6H6F3N3O/c1-12-3(5(10)13)2-4(11-12)6(7,8)9/h2H,1H3,(H2,10,13) |
| InChI Key | RGXJDXSOGHNPHB-UHFFFAOYSA-N |
| MDL Number | MFCD18262328 |
| Molecular Formula | C6H6F3N3O |
| Molecular Weight | 193.1265 |
| SMILES | CN1C(C(N)=O)=CC(C(F)(F)F)=N1 |
| Synonyms | 1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide,
1245771-97-4,
1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide,
SCHEMBL17732,
MFCD18262328,
SBB073533,
ZINC72209488,
AKOS005169464,
MCULE-8421912849,
ST45255925,
F2198-0142,
|
| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.129g/mol |
| Monoisotopic Mass | 193.046g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 60.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number