| CAS Number | 397860-10-5 |
| Catalog Number | AG019VLG |
| Chemical Name | 2-chloro-N-(4-cyano-1-phenyl-1H-pyrazol-5-yl)acetamide |
| IUPAC Name | 2-chloro-N-(4-cyano-2-phenylpyrazol-3-yl)acetamide |
| InChI | InChI=1S/C12H9ClN4O/c13-6-11(18)16-12-9(7-14)8-15-17(12)10-4-2-1-3-5-10/h1-5,8H,6H2,(H,16,18) |
| InChI Key | BDMOFSSKCYDHFR-UHFFFAOYSA-N |
| MDL Number | MFCD01989752 |
| Molecular Formula | C12H9ClN4O |
| Molecular Weight | 260.6791 |
| SMILES | ClCC(NC1N(C2=CC=CC=C2)N=CC=1C#N)=O |
| Synonyms | 2-chloro-N-(4-cyano-1-phenyl-1H-pyrazol-5-yl)acetamide,
EN300-46061,
397860-10-5,
2-chloro-N-(4-cyano-1-phenylpyrazol-5-yl)acetamide,
AC1Q3TIQ,
CTK6H5307,
SBB041638,
ZINC13011622,
AKOS000269776,
MCULE-8638640458,
NE18784,
UPCMLD0ENAT5832596:001,
BB 0219834,
ST50215313,
2-Chloro-N-(4-cyano-2-phenyl-2H-pyrazol-3-y l)-acetamide,
|
| Complexity | 347 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 260.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.681g/mol |
| Monoisotopic Mass | 260.046g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 70.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number