| CAS Number | 1498993-51-3 |
| Catalog Number | AG01DQC1 |
| Chemical Name | 4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid |
| IUPAC Name | 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylic acid |
| InChI | InChI=1S/C7H9N3O2/c11-7(12)5-4-6-8-2-1-3-10(6)9-5/h4,8H,1-3H2,(H,11,12) |
| InChI Key | JORLMYBWNUDYAT-UHFFFAOYSA-N |
| MDL Number | MFCD30726603 |
| Molecular Formula | C7H9N3O2 |
| Molecular Weight | 167.1653 |
| SMILES | OC(C1=NN2C(NCCC2)=C1)=O |
| Synonyms | 4H,5H,6H,7H-Pyrazolo[1,5-a]pyrimidine-2-carboxylic acid,
1498993-51-3,
ZINC82852585,
|
| Complexity | 197 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.168g/mol |
| Monoisotopic Mass | 167.069g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 67.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number