| CAS Number | 1628214-07-2 |
| Catalog Number | AG00ATEC |
| Chemical Name | CPI 4203 |
| IUPAC Name | 6-ethyl-5-(2-methylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile |
| InChI | InChI=1S/C16H14N4O/c1-3-12-14(13-7-5-4-6-10(13)2)19-15-11(8-17)9-18-20(15)16(12)21/h4-7,9,18H,3H2,1-2H3 |
| InChI Key | QMUCSMPNEDSGPT-UHFFFAOYSA-N |
| MDL Number | MFCD31536676 |
| Molecular Formula | C16H14N4O |
| Molecular Weight | 278.3086 |
| SMILES | N#CC1C=NN2C(=O)C(CC)=C(C3C=CC=CC=3C)NC=12 |
| Synonyms | CPI-4203,
6-ethyl-7-oxo-5-o-tolyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile,
1628214-07-2,
SCHEMBL16077821,
BDBM195609,
ZINC575444785,
CPI 4203,
A16177,
|
| Complexity | 619 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 278.117g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.315g/mol |
| Monoisotopic Mass | 278.117g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 68.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number