| CAS Number | 956743-39-8 |
| Catalog Number | AG019JS0 |
| Chemical Name | 2-chloro-N-[3,5-dimethyl-1-(4-methylphenyl)-1H-pyrazol-4-yl]acetamide |
| IUPAC Name | 2-chloro-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]acetamide |
| InChI | InChI=1S/C14H16ClN3O/c1-9-4-6-12(7-5-9)18-11(3)14(10(2)17-18)16-13(19)8-15/h4-7H,8H2,1-3H3,(H,16,19) |
| InChI Key | KGFGQTIOBSNTKL-UHFFFAOYSA-N |
| MDL Number | MFCD06342757 |
| Molecular Formula | C14H16ClN3O |
| Molecular Weight | 277.7493 |
| SMILES | CC1C(NC(CCl)=O)=C(C)N(C2=CC=C(C)C=C2)N=1 |
| Synonyms | 2-chloro-N-[3,5-dimethyl-1-(4-methylphenyl)-1H-pyrazol-4-yl]acetamide,
956743-39-8,
AC1M0PAN,
AC1Q2PKJ,
MLS000390596,
CHEMBL1362715,
CTK6H5316,
HMS2548J20,
ZINC2619086,
AKOS030751303,
MCULE-4981648477,
NE13158,
SMR000259635,
EN300-10243,
Z57000515,
2-chloro-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]acetamide,
ZINC02619086,
CID2080976,
|
| Complexity | 318 |
| 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 | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number