| CAS Number | 1291984-65-0 |
| Catalog Number | AG01AMZY |
| Chemical Name | 5-amino-1-[5-(trifluoromethyl)pyridin-2-yl]-1H-pyrazol-3-ol |
| IUPAC Name | 3-amino-2-[5-(trifluoromethyl)pyridin-2-yl]-1H-pyrazol-5-one |
| InChI | InChI=1S/C9H7F3N4O/c10-9(11,12)5-1-2-7(14-4-5)16-6(13)3-8(17)15-16/h1-4H,13H2,(H,15,17) |
| InChI Key | SYIUYMZYWMFWBA-UHFFFAOYSA-N |
| MDL Number | MFCD13324809 |
| Molecular Formula | C9H7F3N4O |
| Molecular Weight | 244.1733 |
| SMILES | NC1N(C2=NC=C(C(F)(F)F)C=C2)N=C(O)C=1 |
| Synonyms | 5-amino-1-[5-(trifluoromethyl)pyridin-2-yl]-1H-pyrazol-3-ol,
1291984-65-0,
ZINC40907093,
AKOS010514568,
Z2218555437,
5-amino-1-[5-(trifluoromethyl)pyridin-2-yl]-2,3-dihydro-1H-pyrazol-3-one,
|
| Complexity | 355 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.057g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.177g/mol |
| Monoisotopic Mass | 244.057g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 71.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number