| CAS Number | 1049873-68-8 |
| Catalog Number | AG019MES(AGN-PC-0WO3E3) |
| Chemical Name | 7-ethyl-2-hydroxypyrazolo[1,5-a]pyrimidine-6-carboxylic acid |
| IUPAC Name | 7-ethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid |
| InChI | InChI=1S/C9H9N3O3/c1-2-6-5(9(14)15)4-10-7-3-8(13)11-12(6)7/h3-4H,2H2,1H3,(H,11,13)(H,14,15) |
| InChI Key | PYNPYZGKSOKJMJ-UHFFFAOYSA-N |
| MDL Number | MFCD10686809 |
| Molecular Formula | C9H9N3O3 |
| Molecular Weight | 207.1861 |
| SMILES | CCC1N2C(=CC(=N2)O)N=CC=1C(O)=O |
| Synonyms | 7-ethyl-2-hydroxypyrazolo[1,5-a]pyrimidine-6-carboxylic acid,
1049873-68-8,
AC1Q2SUD,
CTK6D0790,
ZINC20283112,
AKOS026727197,
MCULE-1087114935,
NE42379,
EN300-35969,
Z367450930,
|
| Complexity | 434 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.189g/mol |
| Monoisotopic Mass | 207.064g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 82A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number