| CAS Number | 1258649-74-9 |
| Catalog Number | AG01AAVN(AGN-PC-0WO5WB) |
| Chemical Name | 2-{5-methyl-7-oxo-4H,7H-pyrazolo[1,5-a]pyrimidin-6-yl}acetic acid |
| IUPAC Name | 2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetic acid |
| InChI | InChI=1S/C9H9N3O3/c1-5-6(4-8(13)14)9(15)12-7(11-5)2-3-10-12/h2-3,10H,4H2,1H3,(H,13,14) |
| InChI Key | JHRSYTGMURMQOX-UHFFFAOYSA-N |
| MDL Number | MFCD17480450 |
| Molecular Formula | C9H9N3O3 |
| Molecular Weight | 207.1861 |
| SMILES | CC1=C(CC(O)=O)C(=O)N2C(=CC=N2)N1 |
| Synonyms | 2-{5-methyl-7-oxo-4H,7H-pyrazolo[1,5-a]pyrimidin-6-yl}acetic acid,
1258649-74-9,
2-(5-Methyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl)acetic acid,
AC1Q2EZ7,
ZINC57218689,
AKOS022922627,
AKOS023166301,
AKOS024079174,
MCULE-4526046313,
NE27217,
EN300-69708,
Z1171978795,
|
| 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 | -0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number