5-Cyclopropyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid - CAS 1795475-02-3
Catalog: |
BB050621 |
Product Name: |
5-Cyclopropyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid |
CAS: |
1795475-02-3 |
Synonyms: |
Pyrazolo[1,5-a]pyrimidine-7-carboxylic acid, 5-cyclopropyl-2-(trifluoromethyl)- |
IUPAC Name: | 5-cyclopropyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid |
Molecular Weight: | 271.19 |
Molecular Formula: | C11H8F3N3O2 |
Canonical SMILES: | C1CC1C2=NC3=CC(=NN3C(=C2)C(=O)O)C(F)(F)F |
InChI: | InChI=1S/C11H8F3N3O2/c12-11(13,14)8-4-9-15-6(5-1-2-5)3-7(10(18)19)17(9)16-8/h3-5H,1-2H2,(H,18,19) |
InChI Key: | ZVKGQGVAEAGZFD-UHFFFAOYSA-N |
Density: | 1.8±0.1 g/cm3 |
Complexity: | 386 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 271.05686099 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 271.05686099 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 67.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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