| CAS Number | 1698653-24-5 |
| Catalog Number | AG00HZCL(AGN-PC-0WG49B) |
| Chemical Name | Pyrazolo[1,5-a]pyrimidine-2-carboxylic acid, 4,5,6,7-tetrahydro-, ethyl ester |
| IUPAC Name | ethyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylate |
| InChI | InChI=1S/C9H13N3O2/c1-2-14-9(13)7-6-8-10-4-3-5-12(8)11-7/h6,10H,2-5H2,1H3 |
| InChI Key | KXZOQAZSLXZMRC-UHFFFAOYSA-N |
| MDL Number | MFCD28100423 |
| Molecular Formula | C9H13N3O2 |
| Molecular Weight | 195.2184 |
| SMILES | C(=O)(OCC)c1cc2n(n1)CCCN2 |
| Synonyms | Ethyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylate,
1698653-24-5,
MFCD28100423,
ZINC232308223,
FCH5759600,
BBV-55017053,
TZ001018,
CS-0038893,
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| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.222g/mol |
| Monoisotopic Mass | 195.101g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 56.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
Lot Number