| CAS Number | 72411-49-5 |
| Catalog Number | AG00FEAY(AGN-PC-0LM64S) |
| Chemical Name | 2-(4-chlorophenyl)-5-phenylpyrazol-3-amine |
| IUPAC Name | 2-(4-chlorophenyl)-5-phenylpyrazol-3-amine |
| InChI | InChI=1S/C15H12ClN3/c16-12-6-8-13(9-7-12)19-15(17)10-14(18-19)11-4-2-1-3-5-11/h1-10H,17H2 |
| InChI Key | ICFXYKYUOKTMKG-UHFFFAOYSA-N |
| MDL Number | MFCD02091540 |
| Molecular Formula | C15H12ClN3 |
| Molecular Weight | 269.7289 |
| SMILES | N1=C(C2C=CC=CC=2)C=C(N)N1C1=CC=C(Cl)C=C1 |
| Synonyms | 72411-49-5,
1-(4-Chlorophenyl)-3-phenyl-1H-pyrazol-5-ylamine,
1-(4-chlorophenyl)-3-phenyl-1h-pyrazol-5-amine,
2-(4-chlorophenyl)-5-phenylpyrazol-3-amine,
AC1NNNAR,
CTK6H0508,
DTXSID50408052,
ZINC2576791,
4554AH,
MFCD02091540,
AKOS009144123,
MCULE-7853989543,
DB-017318,
FT-0739947,
A-8250,
C15H12ClN3,
CID5073658,
2-(4-chlorophenyl)-5-phenyl-pyrazol-3-amine,
|
| Complexity | 285 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.732g/mol |
| Monoisotopic Mass | 269.072g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number