7-[bis(fluoranyl)methyl]-5-naphthalen-1-yl-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

Systemtic Name: 7-[bis(fluoranyl)methyl]-5-naphthalen-1-yl-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid Openeye Name: 7-(difluoromethyl)-5-(1-naphthyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid CAS Name: 7-(difluoromethyl)-5-(1-naphthalenyl)-3-pyrazolo[1,5-a]pyrimidinecarboxylic acid IUPAC Name: 7-(difluoromethyl)-5-naphthalen-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid Traditional Name: 7-(difluoromethyl)-5-(1-naphthyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid Formula: C18H11F2N3O2 MolecularWeight: 339.295646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2C3=NC4=C(C=NN4C(=C3)C(F)F)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2C3=NC4=C(C=NN4C(=C3)C(F)F)C(=O)O

InChI

InChI=1S/C18H11F2N3O2/c19-16(20)15-8-14(22-17-13(18(24)25)9-21-23(15)17)12-7-3-5-10-4-1-2-6-11(10)12/h1-9,16H,(H,24,25)