Molecule ID: 4303131

IUPAC Name: [5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone

Description: The molecule is a member of the class of pyrazolopyrimidines that is the amide obtained from formal condensation of the carboxy group of 5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid with the endocyclic amino group of 3-methyl-5-(trifluoromethyl)-4,5-dihydropyrazol-5-ol. It is an organofluorine compound, an aromatic amide, a tertiary alcohol, a pyrazolopyrimidine and a member of pyrazoles.

SMILES: CC1=NN(C(=O)c2cc3nc(-c4ccccc4)cc(C(F)(F)F)n3n2)C(O)(C(F)(F)F)C1

SELFIES: [C][C][=N][N][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][C][C][=C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][Ring1][S][N][=Ring2][Ring1][Ring1][C][Branch1][C][O][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Ring2][Ring1][#C]

InChI: InChI=1S/C19H13F6N5O2/c1-10-9-17(32,19(23,24)25)30(27-10)16(31)13-8-15-26-12(11-5-3-2-4-6-11)7-14(18(20,21)22)29(15)28-13/h2-8,32H,9H2,1H3

Molecular Properties:
- Polar Surface Area: 83.1 Ų
- LogP: 3.5