| CAS Number | 1221722-97-9 |
| Catalog Number | AG019KRC |
| Chemical Name | 2-Chloro-N-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)propanamide |
| IUPAC Name | 2-chloro-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide |
| InChI | InChI=1S/C14H16ClN3O/c1-9(15)14(19)16-13-10(2)17-18(11(13)3)12-7-5-4-6-8-12/h4-9H,1-3H3,(H,16,19) |
| InChI Key | JITVRYVZPHFBDV-UHFFFAOYSA-N |
| MDL Number | MFCD14705558 |
| Molecular Formula | C14H16ClN3O |
| Molecular Weight | 277.7493 |
| SMILES | CC(C(NC1=C(C)N(C2=CC=CC=C2)N=C1C)=O)Cl |
| Synonyms | 2-chloro-N-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)propanamide,
1221722-97-9,
AC1Q2AV4,
CTK7F4274,
NE15839,
EN300-28095,
|
| Complexity | 320 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.098g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.752g/mol |
| Monoisotopic Mass | 277.098g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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