| CAS Number | 1443278-89-4 |
| Catalog Number | AG01AG59(AGN-PC-0WBEV2) |
| Chemical Name | 1-Methyl-5-(trifluoromethyl)-1H-pyrazol-4-amine (hydrochloride) |
| IUPAC Name | 1-methyl-5-(trifluoromethyl)pyrazol-4-amine;hydrochloride |
| InChI | InChI=1S/C5H6F3N3.ClH/c1-11-4(5(6,7)8)3(9)2-10-11;/h2H,9H2,1H3;1H |
| InChI Key | AKOIWDQPXRGBTM-UHFFFAOYSA-N |
| MDL Number | MFCD27920344 |
| Molecular Formula | C5H7ClF3N3 |
| Molecular Weight | 201.5774 |
| SMILES | NC1=C(C(F)(F)F)N(C)N=C1.Cl |
| Synonyms | 1-methyl-5-(trifluoromethyl)-1H-pyrazol-4-amine hydrochloride,
1443278-89-4,
SCHEMBL18283885,
AKOS026726704,
NE47426,
Z1787421203,
|
| Complexity | 146 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.577g/mol |
| Monoisotopic Mass | 201.028g/mol |
| Rotatable Bond Count | 0 |
| 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