| CAS Number | 882224-64-8 |
| Catalog Number | AG019I98 |
| Chemical Name | 2-cyano-N-[3-methyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]acetamide |
| IUPAC Name | 2-cyano-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide |
| InChI | InChI=1S/C14H14N4O/c1-10-3-5-12(6-4-10)18-13(9-11(2)17-18)16-14(19)7-8-15/h3-6,9H,7H2,1-2H3,(H,16,19) |
| InChI Key | OMUUIKXCAZSGPT-UHFFFAOYSA-N |
| MDL Number | MFCD03985221 |
| Molecular Formula | C14H14N4O |
| Molecular Weight | 254.2872 |
| SMILES | CC1=NN(C2=CC=C(C)C=C2)C(NC(CC#N)=O)=C1 |
| Synonyms | 2-cyano-N-[3-methyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]acetamide,
882224-64-8,
2-Cyano-N-(5-methyl-2-p-tolyl-2H-pyrazol-3-yl)-acetamide,
Enamine_005499,
AC1Q2PMZ,
AC1M7DJ9,
MLS001033542,
CHEMBL1889496,
HMS1409J21,
HMS2669J20,
ZINC3324624,
SBB042448,
AKOS000270705,
NE21393,
SMR000363990,
EN300-06041,
2-cyano-N-[3-methyl-1-(4-methylphenyl)pyrazol-5-yl]acetamide,
2-cyano-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide,
ZINC03324624,
CID2440126,
|
| Complexity | 367 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.117g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.293g/mol |
| Monoisotopic Mass | 254.117g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 70.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number