| CAS Number | 1260243-50-2 |
| Catalog Number | AG000QRX(AGN-PC-0WD635) |
| Chemical Name | Ethyl 5-chloro-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate |
| IUPAC Name | ethyl 5-chloro-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate |
| InChI | InChI=1S/C10H7ClF3N3O2/c1-2-19-9(18)5-4-15-17-6(10(12,13)14)3-7(11)16-8(5)17/h3-4H,2H2,1H3 |
| InChI Key | GYTCQPKLGVQZKZ-UHFFFAOYSA-N |
| MDL Number | MFCD28016911 |
| Molecular Formula | C10H7ClF3N3O2 |
| Molecular Weight | 293.6297 |
| SMILES | CCOC(=O)c1cnn2c1nc(Cl)cc2C(F)(F)F |
| Synonyms | Ethyl 5-chloro-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate,
1260243-50-2,
ZINC98179981,
AKOS024259550,
AJ-141087,
AX8288442,
CS-0080918,
Pyrazolo[1,5-a]pyrimidine-3-carboxylic acid, 5-chloro-7-(trifluoromethyl)-, ethyl ester,
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| Complexity | 355 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 293.018g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 293.63g/mol |
| Monoisotopic Mass | 293.018g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 56.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
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