| CAS Number | 898539-99-6 |
| Catalog Number | AG01F2UN(AGN-PC-0A5TZU) |
| Chemical Name | Methyl-(5-trifluoromethyl-2H-pyrazol-3-yl)-amine |
| IUPAC Name | N-methyl-5-(trifluoromethyl)-1H-pyrazol-3-amine |
| InChI | InChI=1S/C5H6F3N3/c1-9-4-2-3(10-11-4)5(6,7)8/h2H,1H3,(H2,9,10,11) |
| InChI Key | UGBLXUVMPXXKRK-UHFFFAOYSA-N |
| MDL Number | MFCD21602192 |
| Molecular Formula | C5H6F3N3 |
| Molecular Weight | 165.1164 |
| SMILES | N1N=C(C(F)(F)F)C=C1NC |
| Synonyms | 898539-99-6,
Methyl-(5-trifluoromethyl-2H-pyrazol-3-yl)-amine,
N-methyl-3-(trifluoromethyl)-1H-pyrazol-5-amine,
N-METHYL-5-(TRIFLUOROMETHYL)-1H-PYRAZOL-3-AMINE,
SCHEMBL12038435,
ZINC79387578,
FCH3732554,
AM101534,
PC408033,
N-Methyl-5-(trifluoromethyl)-1H-pyrazole-3-amine,
|
| Complexity | 135 |
| 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 | 1 |
| Topological Polar Surface Area | 40.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
Lot Number