| CAS Number | 1152678-01-7 |
| Catalog Number | AG0094AI(AGN-PC-0WQWT1) |
| Chemical Name | 4-(4-Bromophenyl)-2,5-dimethylpyrazol-3-amine |
| IUPAC Name | 4-(4-bromophenyl)-2,5-dimethylpyrazol-3-amine |
| InChI | InChI=1S/C11H12BrN3/c1-7-10(11(13)15(2)14-7)8-3-5-9(12)6-4-8/h3-6H,13H2,1-2H3 |
| InChI Key | RYEVCRZPUXDJLP-UHFFFAOYSA-N |
| MDL Number | MFCD11209500 |
| Molecular Formula | C11H12BrN3 |
| Molecular Weight | 266.1371 |
| SMILES | Brc1ccc(cc1)c1c(C)nn(c1N)C |
| Synonyms | 4-(4-bromophenyl)-2,5-dimethylpyrazol-3-amine,
1152678-01-7,
KM3831,
ZINC36937669,
MCULE-9450335384,
SC-57185,
Z7690,
4-(4-BROMO-PHENYL)-2,5-DIMETHYL-2H-PYRAZOL-3-YLAMI,
4-(4-BROMO-PHENYL)-2,5-DIMETHYL-2H-PYRAZOL-3-YLAMINE,
4-(4-bromophenyl)-2,5-dimethyl-2,3-dihydro-1H-pyrazol-3-imine,
C11H12BrN3,
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| Complexity | 216 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.021g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.142g/mol |
| Monoisotopic Mass | 265.021g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
Lot Number