| CAS Number | 1349718-80-4 |
| Catalog Number | AG01DK5K(AGN-PC-0BEPHQ) |
| Chemical Name | 4-Bromo-5-isopropyl-2-methyl-2H-pyrazol-3-ylamine |
| IUPAC Name | 4-bromo-2-methyl-5-propan-2-ylpyrazol-3-amine |
| InChI | InChI=1S/C7H12BrN3/c1-4(2)6-5(8)7(9)11(3)10-6/h4H,9H2,1-3H3 |
| InChI Key | VICUDKULEKQWAH-UHFFFAOYSA-N |
| MDL Number | MFCD08669411 |
| Molecular Formula | C7H12BrN3 |
| Molecular Weight | 218.0943 |
| SMILES | N1(C)C(N)=C(Br)C(=N1)C(C)C |
| Synonyms | 1349718-80-4,
4-Bromo-5-isopropyl-2-methyl-2H-pyrazol-3-ylamine,
4-bromo-2-methyl-5-propan-2-ylpyrazol-3-amine,
4-Bromo-1-methyl-3-(propan-2-yl)-1H-pyrazol-5-amine,
DTXSID50717838,
ZINC73632026,
AKOS017579616,
CS-0061032,
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| Complexity | 140 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.021g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.098g/mol |
| Monoisotopic Mass | 217.021g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
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