| CAS Number | 477762-14-4 |
| Catalog Number | AG00DH2M(AGN-PC-0WAW3K) |
| Chemical Name | 3-(4-Bromophenyl)-1-(p-tolyl)-1H-pyrazol-5-amine |
| IUPAC Name | 5-(4-bromophenyl)-2-(4-methylphenyl)pyrazol-3-amine |
| InChI | InChI=1S/C16H14BrN3/c1-11-2-8-14(9-3-11)20-16(18)10-15(19-20)12-4-6-13(17)7-5-12/h2-10H,18H2,1H3 |
| InChI Key | YUCDHYAGQPDPON-UHFFFAOYSA-N |
| MDL Number | MFCD00558920 |
| Molecular Formula | C16H14BrN3 |
| Molecular Weight | 328.2065 |
| SMILES | [Br]C3(=CC=C(C2(=NN(C1(=CC=C(C)C=C1))C(=C2)N))C=C3) |
| Synonyms | 3-(4-bromophenyl)-1-(4-methylphenyl)-1H-pyrazol-5-amine,
477762-14-4,
3-(4-Bromophenyl)-1-(p-tolyl)-1H-pyrazol-5-amine,
AC1LSAIH,
KS-00001ZO5,
ZINC1398715,
AKOS005101174,
MCULE-5294815738,
ACM477762144,
7P-064,
3-(4-bromophenyl)-1-p-tolyl-1H-pyrazol-5-amine,
5-(4-bromophenyl)-2-(4-methylphenyl)pyrazol-3-amine,
ZINC01398715,
CID1484891,
|
| Complexity | 309 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 327.037g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 328.213g/mol |
| Monoisotopic Mass | 327.037g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number