| CAS Number | 328030-25-7 |
| Catalog Number | AG019H2H |
| Chemical Name | 3-amino-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)benzamide |
| IUPAC Name | 3-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide |
| InChI | InChI=1S/C18H18N4O2/c1-12-16(20-17(23)13-7-6-8-14(19)11-13)18(24)22(21(12)2)15-9-4-3-5-10-15/h3-11H,19H2,1-2H3,(H,20,23) |
| InChI Key | LWAAUSFQUGYCJE-UHFFFAOYSA-N |
| MDL Number | MFCD02704735 |
| Molecular Formula | C18H18N4O2 |
| Molecular Weight | 322.3611 |
| SMILES | Nc1cccc(c1)C(=O)Nc1c(=O)n(n(c1C)C)c1ccccc1 |
| Synonyms | 3-amino-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)benzamide,
328030-25-7,
3-Amino-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-benzamide,
AC1M4YHT,
Oprea1_668815,
AC1Q401X,
CTK7D8708,
ZINC3186216,
AKOS000115434,
MCULE-6859907291,
NE12200,
EN300-02328,
Z56785685,
3-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide,
ZINC03186216,
CID2318204,
|
| Complexity | 539 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 322.143g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 322.368g/mol |
| Monoisotopic Mass | 322.143g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 78.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number