| CAS Number | 1052564-95-0 |
| Catalog Number | AG01A305 |
| Chemical Name | 1-{[4-(trifluoromethoxy)phenyl]methyl}-1H-pyrazol-5-amine |
| IUPAC Name | 2-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-3-amine |
| InChI | InChI=1S/C11H10F3N3O/c12-11(13,14)18-9-3-1-8(2-4-9)7-17-10(15)5-6-16-17/h1-6H,7,15H2 |
| InChI Key | YDKROERRTYCSRC-UHFFFAOYSA-N |
| MDL Number | MFCD09730277 |
| Molecular Formula | C11H10F3N3O |
| Molecular Weight | 257.2118 |
| SMILES | NC1N(CC2=CC=C(OC(F)(F)F)C=C2)N=CC=1 |
| Synonyms | 1-{[4-(trifluoromethoxy)phenyl]methyl}-1H-pyrazol-5-amine,
1052564-95-0,
SCHEMBL1491072,
CTK7E0274,
ZINC19689188,
AKOS000138756,
NE21414,
1-[4-(TRIFLUOROMETHOXY)BENZYL]-1H-PYRAZOL-5-AMINE,
|
| Complexity | 267 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.216g/mol |
| Monoisotopic Mass | 257.078g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 53.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
Lot Number