| CAS Number | 1536252-20-6 |
| Catalog Number | AG01DHC7 |
| Chemical Name | 4-bromo-1-ethyl-3-(propan-2-yl)-1H-pyrazol-5-amine |
| IUPAC Name | 4-bromo-2-ethyl-5-propan-2-ylpyrazol-3-amine |
| InChI | InChI=1S/C8H14BrN3/c1-4-12-8(10)6(9)7(11-12)5(2)3/h5H,4,10H2,1-3H3 |
| InChI Key | PXVOWWLZDNQDRM-UHFFFAOYSA-N |
| MDL Number | MFCD23881418 |
| Molecular Formula | C8H14BrN3 |
| Molecular Weight | 232.1209 |
| SMILES | CCn1nc(C(C)C)c(Br)c1N |
| Synonyms | 4-Bromo-1-ethyl-3-isopropyl-1H-pyrazol-5-amine,
1536252-20-6,
AKOS018927263,
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| Complexity | 151 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.037g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.125g/mol |
| Monoisotopic Mass | 231.037g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
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