| CAS Number | 92406-46-7 |
| Catalog Number | AG01BFK3(AGN-PC-00M2F6) |
| Chemical Name | 1-methyl-3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-amine |
| IUPAC Name | 2-methyl-5-[3-(trifluoromethyl)phenyl]pyrazol-3-amine |
| InChI | InChI=1S/C11H10F3N3/c1-17-10(15)6-9(16-17)7-3-2-4-8(5-7)11(12,13)14/h2-6H,15H2,1H3 |
| InChI Key | QROZNIWVOVXYSY-UHFFFAOYSA-N |
| MDL Number | MFCD11209725 |
| Molecular Formula | C11H10F3N3 |
| Molecular Weight | 241.2124 |
| SMILES | CN1C(N)=CC(C2=CC(C(F)(F)F)=CC=C2)=N1 |
| Synonyms | 1-methyl-3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-amine,
92406-46-7,
ZINC36938266,
AKOS009335358,
NE49320,
J3.642.832E,
1-Methyl-3-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-amine,
|
| Complexity | 269 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.083g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.217g/mol |
| Monoisotopic Mass | 241.083g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number