| CAS Number | 261528-47-6 |
| Catalog Number | AG00I4ZB(AGN-PC-0WOA5C) |
| Chemical Name | 4-METHYL-5-(TRIFLUOROMETHYL)-1H-PYRAZOL-3-AMINE |
| IUPAC Name | 4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-amine |
| InChI | InChI=1S/C5H6F3N3/c1-2-3(5(6,7)8)10-11-4(2)9/h1H3,(H3,9,10,11) |
| InChI Key | YTARZCOGKBEMSD-UHFFFAOYSA-N |
| MDL Number | MFCD13689181 |
| Molecular Formula | C5H6F3N3 |
| Molecular Weight | 165.1164 |
| SMILES | CC1C(C(F)(F)F)=NNC=1N |
| Synonyms | 4-methyl-3-(trifluoromethyl)-1H-pyrazol-5-amine,
261528-47-6,
4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-amine,
AC1Q2FLM,
SCHEMBL15687818,
SCHEMBL16797223,
CTK6B3775,
CTK8F6107,
DTXSID30467182,
ZINC26511518,
AKOS009353295,
MCULE-8426506122,
NE62233,
SB12080,
CS-0080460,
EN300-52262,
AB01004610-01,
Z803129920,
CID11480632,
|
| Complexity | 146 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 165.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 165.119g/mol |
| Monoisotopic Mass | 165.051g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 54.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number