| CAS Number | 1393891-80-9 |
| Catalog Number | AG01DHB4 |
| Chemical Name | 1-tert-butyl-3-ethyl-1H-pyrazol-5-amine |
| IUPAC Name | 2-tert-butyl-5-ethylpyrazol-3-amine |
| InChI | InChI=1S/C9H17N3/c1-5-7-6-8(10)12(11-7)9(2,3)4/h6H,5,10H2,1-4H3 |
| InChI Key | PIGVIWFLQKNYFE-UHFFFAOYSA-N |
| MDL Number | MFCD21609359 |
| Molecular Formula | C9H17N3 |
| Molecular Weight | 167.2514 |
| SMILES | CCc1cc(N)n(n1)C(C)(C)C |
| Synonyms | 1-(tert-Butyl)-3-ethyl-1H-pyrazol-5-amine,
1393891-80-9,
|
| Complexity | 150 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.256g/mol |
| Monoisotopic Mass | 167.142g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
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