IUPAC name
ethyl 2-[(diethoxyphosphinothioyl)oxy]-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILES
CCOC(=O)c1cn2c(cc(n2)OP(=S)(OCC)OCC)nc1C
Compound class
Fungicide
Therapeutic area
Fungicide
Common name
pyrazophos
IUPAC name
ethyl 2-[(diethoxyphosphinothioyl)oxy]-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILES
CCOC(=O)c1cn2c(cc(n2)OP(=S)(OCC)OCC)nc1C
INCHI
InChI=1S/C14H20N3O5PS/c1-5-19-14(18)11-9-17-12(15-10(11)4)8-13(16-17)22-23(24,20-6-2)21-7-3/h8-9H,5-7H2,1-4H3
FORMULA
C14H20N3O5PS
Common name
pyrazophos
IUPAC name
ethyl 2-[(diethoxyphosphinothioyl)oxy]-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
Molecular weight
373.364
clogP
2.763
clogS
-3.250
HBond Acceptor
8
HBond Donor
0
Total Polar
Surface Area
126.08
Number of Rings
2
Rotatable Bond
9
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00041 | ethanol |
|
CCO | 0.1474 |
| FDBF00100 | ethyl formate |
|
O(C=O)CC | 0.0244 |
| FDBF04916 | sulfanylphosphinous acid |
|
OPS | 0.0292 |
| FDBF04918 | ethoxyphosphinothious acid |
|
O(CC)PS | 0.0220 |
| FDBF05379 | 5-methyl-1,3-dihydropyrazolo[1,5-a]pyrimidin-8-ium-2-one |
|
Cc1ccn2NC(=O)Cc2n1 | 0.0007 |
9 ,
1
