| CAS Number | 1187057-46-0 |
| Catalog Number | AG01AHK3(AGN-PC-0WO816) |
| Chemical Name | 3-(4-Bromophenyl)-4-ethyl-1H-pyrazol-5-amine |
| IUPAC Name | 5-(4-bromophenyl)-4-ethyl-1H-pyrazol-3-amine |
| InChI | InChI=1S/C11H12BrN3/c1-2-9-10(14-15-11(9)13)7-3-5-8(12)6-4-7/h3-6H,2H2,1H3,(H3,13,14,15) |
| InChI Key | REHUXXGDEDVTNU-UHFFFAOYSA-N |
| MDL Number | MFCD12115923 |
| Molecular Formula | C11H12BrN3 |
| Molecular Weight | 266.1371 |
| SMILES | CCC1C(C2=CC=C(Br)C=C2)=NNC=1N |
| Synonyms | 3-(4-bromophenyl)-4-ethyl-1H-pyrazol-5-amine,
1187057-46-0,
ZINC36916113,
AKOS008139653,
MCULE-6206716415,
NE25829,
EN300-74994,
|
| Complexity | 204 |
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.142g/mol |
| Monoisotopic Mass | 265.021g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 54.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number