Ethyl 5,7-dimethyl-2-(methylsulfonyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate - CAS 860464-45-5
Catalog: |
BB052842 |
Product Name: |
Ethyl 5,7-dimethyl-2-(methylsulfonyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate |
CAS: |
860464-45-5 |
Synonyms: |
ethyl5,7-dimethyl-2-(methylsulfonyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate |
IUPAC Name: | ethyl 5,7-dimethyl-2-methylsulfonylpyrazolo[1,5-a]pyrimidine-3-carboxylate |
Molecular Weight: | 297.33 |
Molecular Formula: | C12H15N3O4S |
Canonical SMILES: | CCOC(=O)C1=C2N=C(C=C(N2N=C1S(=O)(=O)C)C)C |
InChI: | InChI=1S/C12H15N3O4S/c1-5-19-12(16)9-10-13-7(2)6-8(3)15(10)14-11(9)20(4,17)18/h6H,5H2,1-4H3 |
InChI Key: | PYFWNYNHIMAAIQ-UHFFFAOYSA-N |
Density: | 1.4±0.1 g/cm3 |
Complexity: | 476 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 297.07832714 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 297.07832714 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 99 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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