Fipronil
| PubChem CID | 3352 |
| Molecular Formula | C12H4Cl2F6N4OS |
| Structure |
|
| Synonyms |
fipronil
120068-37-3 Termidor Fipronil [ISO] RM 1601 MB 46030 (+/-)-Fipronil HSDB 7051 NSC-758960 UNII-QGH063955F FRONTLINE 5-amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-((trifluoromethyl)sulfinyl)-1h-pyrazole-3-carbonitrile DTXSID4034609 CHEBI:83394 Fipronil (ema epar: veterinary) QGH063955F M & B 46030 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfinyl)pyrazole-3-carbonitrile 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)sulfinyl]-1H-pyrazole-3-carbonitrile RM-1601 MB-46030 CHEMBL101326 DTXCID2014609 EC 424-610-5 BROADLINE COMPONENT FIPRONIL Fipronil (JAN) 5-Amino-3-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl)-4-trifluoromethylsulfinylpyrazole NSC 758960 (RS)-5-Amino-1-(2,6-dichloro-4-trifluoromethylphenyl)-4-(trifluoromethylsulfinyl)pyrazole-3-carbonitrile NCGC00094574-06 FIPRONIL [JAN] C12H4Cl2F6N4OS FIPRONIL (MART.) FIPRONIL [MART.] 1H-Pyrazole-3-carbonitrile, 5-amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-((trifluoromethyl)sulfinyl)- 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethane)sulfinyl-1H-pyrazole-3-carbonitrile 1H-Pyrazole-3-carbonitrile, 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)sulfinyl]- 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-trifluoromethanesulfinyl-1H-pyrazole-3-carbonitrile CAS-120068-37-3 rac-fipronil 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(S)-trifluoromethylsulfinyl]pyrazole-3-carbonitrile Fipronil 1000 microg/mL in Acetone Fipronil 10 microg/mL in Acetonitrile Fipronil 100 microg/mL in Acetonitrile Fipronil [INN:BAN] FIPRONIL [HSDB] 5-Amino-1- FIPRONIL [MI] UPCMLD-DP011 Fluocyanobenpyrazole;Termidor CBiol_001754 SCHEMBL15088 BSPBio_001315 BSPBio_002266 KBioGR_000035 KBioSS_000035 5-amino-1-(2,6-dichloro-alpha,alpha,alpha-trifluoro-p-tolyl)-4-trifluoromethylsulfinylpyrazole-3-carbonitile MLS004712079 SPECTRUM1505354 CHEBI:5063 UPCMLD-DP011:001 UPCMLD-DP011:002 BCBcMAP01_000152 KBio2_000035 KBio2_002603 KBio2_005171 KBio3_000069 KBio3_000070 Bio1_000040 Bio1_000529 Bio1_001018 Bio2_000035 Bio2_000515 HMS1361B17 HMS1791B17 HMS1922F08 HMS1989B17 HMS2093D09 HMS3402B17 Pharmakon1600-01505354 BCP14931 HY-B0822 Tox21_111300 Tox21_301114 AC-427 BDBM50106148 CM-102 MFCD00867812 NSC758960 s5366 AKOS015960931 FIPRONIL COMPONENT OF BROADLINE Fluocyanobenpyrazole, Taurus, Termidor Tox21_111300_1 CCG-213975 KS-5066 IDI1_033785 NCGC00094574-01 NCGC00094574-02 NCGC00094574-03 NCGC00094574-05 NCGC00094574-07 NCGC00094574-08 NCGC00094574-09 NCGC00094574-10 NCGC00094574-11 NCGC00094574-12 NCGC00094574-13 NCGC00094574-15 NCGC00255014-01 SMR000777967 SY066868 SBI-0206839.P001 DB-041522 M&B 46030 CS-0012838 F0822 Fipronil, PESTANAL(R), analytical standard NS00000349 D01042 AB00643326_02 EN300-6490177 A934386 Q415933 SR-05000002006 Q-201115 SR-05000002006-1 BRD-A50675702-001-03-0 BRD-A50675702-001-04-8 BRD-A50675702-001-07-1 Fipronil, certified reference material, TraceCERT(R) Z2417820389 5-amino-1-(2,6-dichloro-4-trifluoromethylphenyl)-3-cyano-4-trifluoromethylsulfinylpyrazole 5-Amino-1-(2,6-dichloro-4-trifluoromethylphenyl)-3-cyano-4-trifluoromethylsulphinylpyrazole 5-Amino-3-cyano-1-(2,6-dichloro-4-trifluoro-methylphenyl)-4-trifluoromethylsulfinylpyrazole 5-Amino-3-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl)-4-trifluoromethylsulfinyl-pyrazole 5-Amino-3-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl)-4-trifluoromethylsulfinylpyrazol e 5-amino-3-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl)-4-trifluoromethylsulphinylpyrazole (+-)-5-amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-((trifluoromethyl)sulfinyl)-1H-pyrazole-3-carbonitrile (RS)-5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfinyl)pyrazole-3-carbonitrile 5-amino-1 -(2,6-dichloro-4-trifluoromethylphenyl)-4-trifluoromethylsulfinyl-1 H-pyrazole-3-carbonitrile 5-AMINO-1-(2,6-DICHLORO-.ALPHA.,.ALPHA.,.ALPHA.-TRIFLUORO-P-TOLYL)-4-((TRIFLUOROMETHYL)SULFINYL)PYRAZOLE-3-CARBONITRILE 5-amino-1-(2,6-dichloro-4-(trifluoromethyl) phenyl)-4-((trifluoromethyl) sulfinyl)-1H-pyrazol-3-carbonitrile 5-amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-(trifluoromethylsulfinyl)-1H-pyrazole-3-carbonitrile 5-amino-1-(2,6-dichloro-4-trifluoromethylphenyl)-3-cyano-4-trifluoromethylsulphinyl pyrazole 5-AMINO-1-(2,6-DICHLORO-alpha,alpha,alpha-TRIFLUORO-P-TOLYL)-4-((TRIFLUOROMETHYL)SULFINYL)PYRAZOLE-3-CARBONITRILE 5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-cyano-4-(trifluoromethyl)sulfinylpyrazole 5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)sulfinylpyrazole-3-carbonitrile 5-amino-3-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl) -4-trifluoromethylsulphinylpyrazole rac-5-amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-((trifluoromethyl)sulfinyl)-1H-pyrazole-3-carbonitrile |
Computed Descriptors
| IUPAC Name | 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfinyl)pyrazole-3-carbonitrile |
| SMILES | C1=C(C=C(C(=C1Cl)N2C(=C(C(=N2)C#N)S(=O)C(F)(F)F)N)Cl)C(F)(F)F |
| Canonical SMILES | C1=C(C=C(C(=C1Cl)N2C(=C(C(=N2)C#N)S(=O)C(F)(F)F)N)Cl)C(F)(F)F |
| InChI | InChI=1S/C12H4Cl2F6N4OS/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)26(25)12(18,19)20/h1-2H,22H2 |
| InChIKey | ZOCSXAVNDGMNBV-UHFFFAOYSA-N |
Computed Properties
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| Molecular Weight | 437.1 g/mol |
| XLogP3 | 4.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 2 |
| Exact Mass | 435.939 |
| Monoisotopic Mass | 435.939 |
| Topological Polar Surface Area | 104 |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 599 |
| 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 |
Annotation
2 pairs of Verified P450 and Fipronil
| Insect | Gene Symbol | Validation | Reference |
|---|---|---|---|
| Solenopsis invicta | CYP6AS160 | R | |
| Spodoptera frugiperda | CYP4G74 | R |