| CAS Number | 926234-78-8 |
| Catalog Number | AG019LMW(AGN-PC-0WO4SJ) |
| Chemical Name | 3-methyl-1-[5-(trifluoromethyl)pyridin-2-yl]-1H-pyrazol-5-amine |
| IUPAC Name | 5-methyl-2-[5-(trifluoromethyl)pyridin-2-yl]pyrazol-3-amine |
| InChI | InChI=1S/C10H9F3N4/c1-6-4-8(14)17(16-6)9-3-2-7(5-15-9)10(11,12)13/h2-5H,14H2,1H3 |
| InChI Key | KSEPDTCKJCJYGY-UHFFFAOYSA-N |
| MDL Number | MFCD09047782 |
| Molecular Formula | C10H9F3N4 |
| Molecular Weight | 242.2005 |
| SMILES | CC1=NN(C2=NC=C(C(F)(F)F)C=C2)C(N)=C1 |
| Synonyms | 3-methyl-1-[5-(trifluoromethyl)pyridin-2-yl]-1H-pyrazol-5-amine,
926234-78-8,
AC1Q2PM9,
CTK6C4624,
ZINC12526563,
AKOS000131400,
MCULE-5630760985,
NE14192,
EN300-31823,
Z336481660,
|
| Complexity | 271 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.205g/mol |
| Monoisotopic Mass | 242.078g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 56.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number