| CAS Number | 1173245-30-1 |
| Catalog Number | AG019PPO |
| Chemical Name | 2-chloro-N-(3-cyclopentyl-1-phenyl-1H-pyrazol-5-yl)acetamide |
| IUPAC Name | 2-chloro-N-(5-cyclopentyl-2-phenylpyrazol-3-yl)acetamide |
| InChI | InChI=1S/C16H18ClN3O/c17-11-16(21)18-15-10-14(12-6-4-5-7-12)19-20(15)13-8-2-1-3-9-13/h1-3,8-10,12H,4-7,11H2,(H,18,21) |
| InChI Key | ZGFHEBMRUAQICK-UHFFFAOYSA-N |
| MDL Number | MFCD09802027 |
| Molecular Formula | C16H18ClN3O |
| Molecular Weight | 303.7866 |
| SMILES | ClCC(NC1N(C2=CC=CC=C2)N=C(C2CCCC2)C=1)=O |
| Synonyms | 2-chloro-N-(3-cyclopentyl-1-phenyl-1H-pyrazol-5-yl)acetamide,
1173245-30-1,
AC1Q3TJK,
CTK6H5408,
ZINC12505041,
AKOS030652545,
MCULE-7096433280,
NE14439,
EN300-24669,
Z359419592,
|
| Complexity | 353 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 303.114g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 303.79g/mol |
| Monoisotopic Mass | 303.114g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number