5-(2-Naphthyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid - CAS 677758-43-9
Catalog: |
BB051226 |
Product Name: |
5-(2-Naphthyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid |
CAS: |
677758-43-9 |
Synonyms: |
Pyrazolo[1,5-a]pyrimidine-2-carboxylic acid, 5-(2-naphthalenyl)-7-(trifluoromethyl)-; 5-(2-naphthyl)-7-(trifluoromethyl)-8-hydropyrazolo[1,5-a]pyrimidine-2-carboxylic acid |
IUPAC Name: | 5-naphthalen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid |
Molecular Weight: | 357.29 |
Molecular Formula: | C18H10F3N3O2 |
Canonical SMILES: | C1=CC=C2C=C(C=CC2=C1)C3=NC4=CC(=NN4C(=C3)C(F)(F)F)C(=O)O |
InChI: | InChI=1S/C18H10F3N3O2/c19-18(20,21)15-8-13(22-16-9-14(17(25)26)23-24(15)16)12-6-5-10-3-1-2-4-11(10)7-12/h1-9H,(H,25,26) |
InChI Key: | SYNLNOAULHSZSD-UHFFFAOYSA-N |
Density: | 1.5±0.1 g/cm3 |
Complexity: | 544 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 357.07251106 |
Formal Charge: | 0 |
Heavy Atom Count: | 26 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 357.07251106 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 67.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4 |
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