7-Cyclopropyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid - CAS 1781023-09-3
Catalog: |
BB050620 |
Product Name: |
7-Cyclopropyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid |
CAS: |
1781023-09-3 |
Synonyms: |
Pyrazolo[1,5-a]pyrimidine-5-carboxylic acid, 7-cyclopropyl-2-(trifluoromethyl)- |
IUPAC Name: | 7-cyclopropyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid |
Molecular Weight: | 271.19 |
Molecular Formula: | C11H8F3N3O2 |
Canonical SMILES: | C1CC1C2=CC(=NC3=CC(=NN23)C(F)(F)F)C(=O)O |
InChI: | InChI=1S/C11H8F3N3O2/c12-11(13,14)8-4-9-15-6(10(18)19)3-7(5-1-2-5)17(9)16-8/h3-5H,1-2H2,(H,18,19) |
InChI Key: | DGJFUPSJJBZGHX-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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