| CAS Number | 956751-68-1 |
| Catalog Number | AG019LBT |
| Chemical Name | 1-(2,4-dimethylphenyl)-3-phenyl-1H-pyrazol-5-amine |
| IUPAC Name | 2-(2,4-dimethylphenyl)-5-phenylpyrazol-3-amine |
| InChI | InChI=1S/C17H17N3/c1-12-8-9-16(13(2)10-12)20-17(18)11-15(19-20)14-6-4-3-5-7-14/h3-11H,18H2,1-2H3 |
| InChI Key | WWHPUCFZLVPWMP-UHFFFAOYSA-N |
| MDL Number | MFCD08445055 |
| Molecular Formula | C17H17N3 |
| Molecular Weight | 263.3370 |
| SMILES | CC1=CC(C)=C(N2C(N)=CC(C3=CC=CC=C3)=N2)C=C1 |
| Synonyms | 1-(2,4-dimethylphenyl)-3-phenyl-1H-pyrazol-5-amine,
956751-68-1,
AC1Q2HY0,
CTK6B6757,
ZINC20281612,
AKOS008090535,
MCULE-1490827101,
NE13900,
EN300-30740,
Z228589136,
|
| Complexity | 313 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.344g/mol |
| Monoisotopic Mass | 263.142g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number