| CAS Number | 2044713-72-4 |
| Catalog Number | AG01BVET |
| Chemical Name | 2-[5-Amino-1-(propan-2-yl)-1H-pyrazol-4-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol |
| IUPAC Name | 2-(5-amino-1-propan-2-ylpyrazol-4-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol |
| InChI | InChI=1S/C9H11F6N3O/c1-4(2)18-6(16)5(3-17-18)7(19,8(10,11)12)9(13,14)15/h3-4,19H,16H2,1-2H3 |
| InChI Key | ODFBBILBFJPTNI-UHFFFAOYSA-N |
| MDL Number | MFCD30476367 |
| Molecular Formula | C9H11F6N3O |
| Molecular Weight | 291.1936 |
| SMILES | CC(N1C(N)=C(C(C(F)(F)F)(C(F)(F)F)O)C=N1)C |
| Synonyms | 2-[5-amino-1-(propan-2-yl)-1H-pyrazol-4-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol,
2044713-72-4,
ZINC521399776,
|
| Complexity | 315 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 291.081g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 291.197g/mol |
| Monoisotopic Mass | 291.081g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 64.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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