| CAS Number | 862368-62-5 |
| Catalog Number | AG01AB1Q(AGN-PC-06P949) |
| Chemical Name | 3-TERT-BUTYL-1-(PYRIDIN-2-YL)-1H-PYRAZOL-5-AMINE |
| IUPAC Name | 5-tert-butyl-2-pyridin-2-ylpyrazol-3-amine |
| InChI | InChI=1S/C12H16N4/c1-12(2,3)9-8-10(13)16(15-9)11-6-4-5-7-14-11/h4-8H,13H2,1-3H3 |
| InChI Key | GUULKYKPJKFSFK-UHFFFAOYSA-N |
| MDL Number | MFCD11040253 |
| Molecular Formula | C12H16N4 |
| Molecular Weight | 216.2822 |
| SMILES | Nc1cc(nn1c1ccccn1)C(C)(C)C |
| Synonyms | 3-tert-butyl-1-(pyridin-2-yl)-1H-pyrazol-5-amine,
862368-62-5,
AC1Q1MD1,
SCHEMBL1013458,
GUULKYKPJKFSFK-UHFFFAOYSA-N,
MFCD11040253,
ZINC37291285,
AKOS008130527,
MCULE-5212241915,
NE33386,
EN300-70211,
3-tert-Butyl-1-pyridin-2-yl-1H-pyrazol-5-amine,
Z1263820373,
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| Complexity | 236 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.137g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.288g/mol |
| Monoisotopic Mass | 216.137g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 56.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
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