Methyl 7-isopropyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-5-carboxylate - CAS 1798723-27-9
Catalog: |
BB050617 |
Product Name: |
Methyl 7-isopropyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-5-carboxylate |
CAS: |
1798723-27-9 |
Synonyms: |
7-Isopropyl-2-trifluoromethyl-pyrazolo[1,5-a]pyrimidine-5-carboxylic acid methyl ester; methyl 7-(propan-2-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-5-carboxylate; Pyrazolo[1,5-a]pyrimidine-5-carboxylic acid, 7-(1-methylethyl)-2-(trifluoromethyl)-, methyl ester |
IUPAC Name: | methyl 7-propan-2-yl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-5-carboxylate |
Molecular Weight: | 287.24 |
Molecular Formula: | C12H12F3N3O2 |
Canonical SMILES: | CC(C)C1=CC(=NC2=CC(=NN12)C(F)(F)F)C(=O)OC |
InChI: | InChI=1S/C12H12F3N3O2/c1-6(2)8-4-7(11(19)20-3)16-10-5-9(12(13,14)15)17-18(8)10/h4-6H,1-3H3 |
InChI Key: | SODCOTWHIXBHRS-UHFFFAOYSA-N |
Density: | 1.4±0.1 g/cm3 |
Complexity: | 375 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 287.08816112 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 287.08816112 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 56.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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