| CAS Number | 1248446-47-0 |
| Catalog Number | AG01DTO0 |
| Chemical Name | 1-(tert-Butyl)-4-chloro-3-methyl-1H-pyrazol-5-amine |
| IUPAC Name | 2-tert-butyl-4-chloro-5-methylpyrazol-3-amine |
| InChI | InChI=1S/C8H14ClN3/c1-5-6(9)7(10)12(11-5)8(2,3)4/h10H2,1-4H3 |
| InChI Key | ZZAQVPKNUVBBJC-UHFFFAOYSA-N |
| MDL Number | MFCD16092748 |
| Molecular Formula | C8H14ClN3 |
| Molecular Weight | 187.6699 |
| SMILES | Cc1nn(c(c1Cl)N)C(C)(C)C |
| Synonyms | 1-(tert-Butyl)-4-chloro-3-methyl-1H-pyrazol-5-amine,
1248446-47-0,
AKOS011002545,
1-tert-butyl-4-chloro-3-methyl-1H-pyrazol-5-amine,
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| Complexity | 166 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.088g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.671g/mol |
| Monoisotopic Mass | 187.088g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
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