Molecule ID: 93736

IUPAC Name: ethyl 5-methyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate

Description: The molecule is a member of the class of pyrazolopyrimidines that is pyrazophos in which the the thiophosphate group has been hydrolysed to the corresponding hydroxy group. The active fungicide of the profungicide pyrazophos. It has a role as an antifungal agrochemical, an insecticide, a phospholipid biosynthesis inhibitor and a fungicide. It is an ethyl ester, a pyrazolopyrimidine and an organic hydroxy compound.

SMILES: CCOC(=O)c1cn2nc(O)cc2nc1C

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

InChI: InChI=1S/C10H11N3O3/c1-3-16-10(15)7-5-13-8(11-6(7)2)4-9(14)12-13/h4-5H,3H2,1-2H3,(H,12,14)

Molecular Properties:
- Polar Surface Area: 71.0 Ų
- LogP: 0.1