| CAS Number | 1048389-82-7 |
| Catalog Number | AG00HAF8 |
| Chemical Name | 3-TERT-BUTYL-1-(2,2,2-TRIFLUOROETHYL)-1H-PYRAZOL-5-AMINE |
| IUPAC Name | 5-tert-butyl-2-(2,2,2-trifluoroethyl)pyrazol-3-amine |
| InChI | InChI=1S/C9H14F3N3/c1-8(2,3)6-4-7(13)15(14-6)5-9(10,11)12/h4H,5,13H2,1-3H3 |
| InChI Key | ULDPQKCPIAKINS-UHFFFAOYSA-N |
| MDL Number | MFCD09910436 |
| Molecular Formula | C9H14F3N3 |
| Molecular Weight | 221.2228 |
| SMILES | NC1=CC(C(C)(C)C)=NN1CC(F)(F)F |
| Synonyms | 1048389-82-7,
3-TERT-BUTYL-1-(2,2,2-TRIFLUOROETHYL)-1H-PYRAZOL-5-AMINE,
3-(tert-Butyl)-1-(2,2,2-trifluoroethyl)-1H-pyrazol-5-amine,
SCHEMBL15069908,
CTK7D5924,
AR2249,
MFCD09910436,
ZINC35287441,
AK336124,
AS-45307,
|
| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.114g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.227g/mol |
| Monoisotopic Mass | 221.114g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
Lot Number