| CAS Number | 1170415-79-8 |
| Catalog Number | AG019K7S |
| Chemical Name | 3-chloro-N-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)propanamide |
| IUPAC Name | 3-chloro-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide |
| InChI | InChI=1S/C14H16ClN3O/c1-10-14(16-13(19)8-9-15)11(2)18(17-10)12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3,(H,16,19) |
| InChI Key | ZAJNVQNGNKNLLT-UHFFFAOYSA-N |
| MDL Number | MFCD11786652 |
| Molecular Formula | C14H16ClN3O |
| Molecular Weight | 277.7493 |
| SMILES | CC1C(NC(CCCl)=O)=C(C)N(C2=CC=CC=C2)N=1 |
| Synonyms | 3-chloro-N-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)propanamide,
1170415-79-8,
AC1Q2PKI,
CTK6H7289,
ZINC32626791,
AKOS008082442,
MCULE-3285443065,
NE20422,
EN300-25854,
Z415636676,
|
| Complexity | 307 |
| 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 | 4 |
| Topological Polar Surface Area | 46.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
Lot Number