| CAS Number | 1464091-54-0 |
| Catalog Number | AG001DZG(AGN-PC-0WD3ZS) |
| Chemical Name | 7-Chloro-2-(3,4-dimethoxyphenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidine |
| IUPAC Name | 7-chloro-2-(3,4-dimethoxyphenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidine |
| InChI | InChI=1S/C17H18ClN3O2/c1-5-12-10(2)19-16-9-13(20-21(16)17(12)18)11-6-7-14(22-3)15(8-11)23-4/h6-9H,5H2,1-4H3 |
| InChI Key | OUWDIEFMYZJWHR-UHFFFAOYSA-N |
| MDL Number | MFCD26406736 |
| Molecular Formula | C17H18ClN3O2 |
| Molecular Weight | 331.7967 |
| SMILES | COc1cc(ccc1OC)c1nn2c(c1)nc(c(c2Cl)CC)C |
| Synonyms | 7-CHLORO-2-(3,4-DIMETHOXYPHENYL)-6-ETHYL-5-METHYLPYRAZOLO[1,5-A]PYRIMIDINE,
1464091-54-0,
CS-B1070,
MFCD26406736,
ZINC95831063,
Pyrazolo[1,5-a]pyrimidine, 7-chloro-2-(3,4-dimethoxyphenyl)-6-ethyl-5-methyl-,
AK143050,
AJ-135189,
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| Complexity | 400 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 331.109g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 331.8g/mol |
| Monoisotopic Mass | 331.109g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 48.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number