Ethiprole
| PubChem CID | 9930667 |
| Molecular Formula | C13H9Cl2F3N4OS |
| Structure |
|
| Synonyms |
Ethiprole
181587-01-9 Ethiprole [ISO] 1H-Pyrazole-3-carbonitrile, 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(ethylsulfinyl)- 5-Amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-(ethylsulfinyl)-1H-pyrazole-3-carbonitrile CHEBI:81827 5527E53JNB 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-ethylsulfinylpyrazole-3-carbonitrile Kirappu UNII-5527E53JNB rpa 107382 5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(ethylsulfinyl)-1H-pyrazole-3-carbonitrile ETHIPROLE [MI] SCHEMBL27048 CHEMBL2228921 DTXSID6058003 HMS3741G13 BCP13106 MFCD07366662 AKOS015914939 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-ethylsulfinyl-pyrazole-3-carbonitrile 5-amino-3-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl)-4-ethylsulfinylpyrazole AS-14739 HY-120425 CS-0077980 NS00006009 Ethiprole, PESTANAL(R), analytical standard C18552 E79172 A812624 J-011597 Q22807466 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-amino-4-(ethylsulfinyl)-1H-pyrazole-3-carbonitrile 1H-Pyrazole-3-carbonitrile, 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(ethylsulfinyl 5-AMINO-1-(2,6-DICHLORO-.ALPHA.,.ALPHA.,.ALPHA.-TRIFLUORO-P-TOLYL)-4-ETHYLSULFINYLPYRAZOLE-3-CARBONITRILE Pesticide5_Ethiprole_C13H9Cl2F3N4OS_1H-Pyrazole-3-carbonitrile, 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(ethylsulfinyl)- |
Computed Descriptors
| IUPAC Name | 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-ethylsulfinylpyrazole-3-carbonitrile |
| SMILES | CCS(=O)C1=C(N(N=C1C#N)C2=C(C=C(C=C2Cl)C(F)(F)F)Cl)N |
| Canonical SMILES | CCS(=O)C1=C(N(N=C1C#N)C2=C(C=C(C=C2Cl)C(F)(F)F)Cl)N |
| InChI | InChI=1S/C13H9Cl2F3N4OS/c1-2-24(23)11-9(5-19)21-22(12(11)20)10-7(14)3-6(4-8(10)15)13(16,17)18/h3-4H,2,20H2,1H3 |
| InChIKey | FNELVJVBIYMIMC-UHFFFAOYSA-N |
Computed Properties
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| Molecular Weight | 397.2 g/mol |
| XLogP3 | 3.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 3 |
| Exact Mass | 395.983 |
| Monoisotopic Mass | 395.983 |
| Topological Polar Surface Area | 104 |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 531 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
3 pairs of Verified P450 and Ethiprole
| Insect | Gene Symbol | Validation | Reference |
|---|---|---|---|
| Laodelphax striatellus | CYP4DE1 | R | |
| Laodelphax striatellus | CYP4DE1 | R | |
| Laodelphax striatellus | CYP6CW3V2 | R |