| CAS Number | 1429250-98-5 |
| Catalog Number | AG01F746(AGN-PC-3H496K) |
| Chemical Name | 7-Hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile |
| IUPAC Name | 7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile |
| InChI | InChI=1S/C13H8N4O/c14-7-10-8-15-17-12(18)6-11(16-13(10)17)9-4-2-1-3-5-9/h1-6,8,15H |
| InChI Key | KYNMRURAEWFSBX-UHFFFAOYSA-N |
| MDL Number | MFCD24847140 |
| Molecular Formula | C13H8N4O |
| Molecular Weight | 236.2288 |
| SMILES | N#Cc1cnn2c1nc(cc2O)c1ccccc1 |
| Synonyms | 1429250-98-5,
5-Phenyl-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carbonitrile,
7-Hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile,
SCHEMBL12953361,
IZDBAWMJZHEGEG-UHFFFAOYSA-N,
ZINC132356068,
ZINC253625871,
7-oxo-5-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile,
|
| Complexity | 528 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.234g/mol |
| Monoisotopic Mass | 236.07g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 68.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number