| CAS Number | 1354950-24-5 |
| Catalog Number | AG01AI1B |
| Chemical Name | 4-(4-bromophenyl)-2-methyl-2,3-dihydro-1H-pyrazol-3-imine |
| IUPAC Name | 4-(4-bromophenyl)-2-methylpyrazol-3-amine |
| InChI | InChI=1S/C10H10BrN3/c1-14-10(12)9(6-13-14)7-2-4-8(11)5-3-7/h2-6H,12H2,1H3 |
| InChI Key | DBPJOQVOJYCZHP-UHFFFAOYSA-N |
| MDL Number | MFCD20731094 |
| Molecular Formula | C10H10BrN3 |
| Molecular Weight | 252.1105 |
| SMILES | CN1C(=N)C(C2=CC=C(Br)C=C2)=CN1 |
| Synonyms | 4-(4-Bromophenyl)-1-methylpyrazol-5-amine,
1248796-80-6,
4-(4-bromophenyl)-2-methyl-2,3-dihydro-1H-pyrazol-3-imine,
4-(4-bromophenyl)-1-methyl-1H-pyrazol-5-amine,
1354950-24-5,
SCHEMBL12989300,
MFCD14657245,
ZINC42413637,
AKOS010652580,
ZINC585133936,
NE58092,
CS-12265,
SC-57184,
SY042794,
MFCD14657245 (95%),
Z2737649206,
4-(4-BROMO-PHENYL)-2-METHYL-2H-PYRAZOL-3-YLAMINE,
4-(4-Bromophenyl)-2-methyl-2H-pyrazol-3-ylamine,
|
| Complexity | 192 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.006g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.115g/mol |
| Monoisotopic Mass | 251.006g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number