| CAS Number | 1909326-85-7 |
| Catalog Number | AG01C5FY |
| Chemical Name | 5-methyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine hydrochloride |
| IUPAC Name | 5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-3-amine;hydrochloride |
| InChI | InChI=1S/C11H10F3N3.ClH/c1-7-5-10(15)16-17(7)9-4-2-3-8(6-9)11(12,13)14;/h2-6H,1H3,(H2,15,16);1H |
| InChI Key | HNWPAWGRGLAWMV-UHFFFAOYSA-N |
| MDL Number | MFCD29763408 |
| Molecular Formula | C11H11ClF3N3 |
| Molecular Weight | 277.6733 |
| SMILES | Cl.CC1N(C2=CC(C(F)(F)F)=CC=C2)N=C(N)C=1 |
| Synonyms | 5-methyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine hydrochloride,
1909326-85-7,
Z2467523278,
|
| Complexity | 269 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.675g/mol |
| Monoisotopic Mass | 277.059g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number