| CAS Number | 739365-02-7 |
| Catalog Number | AG00FH56(AGN-PC-0WO3PX) |
| Chemical Name | 2-methyl-5-oxo-4H,5H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid |
| IUPAC Name | 2-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid |
| InChI | InChI=1S/C8H7N3O3/c1-4-2-6-9-7(12)5(8(13)14)3-11(6)10-4/h2-3H,1H3,(H,9,12)(H,13,14) |
| InChI Key | RQKJPXDXWVKVSM-UHFFFAOYSA-N |
| MDL Number | MFCD11215499 |
| Molecular Formula | C8H7N3O3 |
| Molecular Weight | 193.1595 |
| SMILES | CC1=NN2C(NC(C(C(O)=O)=C2)=O)=C1 |
| Synonyms | 2-methyl-5-oxo-4H,5H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid,
739365-02-7,
5-HYDROXY-2-METHYLPYRAZOLO[1,5-A]PYRIMIDINE-6-CARBOXYLIC ACID,
AC1Q2Q26,
SCHEMBL5071911,
CTK9A3318,
ZINC47843995,
AKOS006239048,
AKOS023166288,
AB63816,
MCULE-4173798603,
NE21628,
CS-0080973,
EN300-61860,
Z992716900,
2-Methyl-5-oxo-4,5-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylic acid,
|
| Complexity | 326 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.162g/mol |
| Monoisotopic Mass | 193.049g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 84.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number