| CAS Number | 1052561-17-7 |
| Catalog Number | AG019XNV |
| Chemical Name | N-(4-amino-2-chlorophenyl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)propanamide |
| IUPAC Name | N-(4-amino-2-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)propanamide |
| InChI | InChI=1S/C14H17ClN4O/c1-8-6-9(2)19(18-8)10(3)14(20)17-13-5-4-11(16)7-12(13)15/h4-7,10H,16H2,1-3H3,(H,17,20) |
| InChI Key | KQXMBDUGMHYQOJ-UHFFFAOYSA-N |
| MDL Number | MFCD09734037 |
| Molecular Formula | C14H17ClN4O |
| Molecular Weight | 292.7640 |
| SMILES | CC(N1C(C)=CC(C)=N1)C(NC1=C(Cl)C=C(N)C=C1)=O |
| Synonyms | N-(4-amino-2-chlorophenyl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)propanamide,
1052561-17-7,
CTK7F4836,
AKOS000144610,
AKOS016901127,
MCULE-5992052629,
NE18204,
EN300-55496,
AC1Q2BFI,
|
| Complexity | 354 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 292.109089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 292.76g/mol |
| Monoisotopic Mass | 292.109089g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 72.9Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number