Tolfenpyrad
| PubChem CID | 10110536 |
| Molecular Formula | C21H22ClN3O2 |
| Structure |
|
| Synonyms |
tolfenpyrad
129558-76-5 Tolfenpyrad [ISO] 1H-Pyrazole-5-carboxamide, 4-chloro-3-ethyl-1-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]- OHA74571QT CHEBI:38628 4-chloro-3-ethyl-1-methyl-N-(4-(p-tolyloxy)benzyl)pyrazole-5-carboxamide 4-Chloro-3-ethyl-1-methyl-N-(4-(p-tolyloxy)-benzyl)-1H-pyrazole-5-carboxamide MMV688934 4-chloro-3-ethyl-1-methyl-N-(4-(p-tolyloxy)benzyl)-1H-pyrazole-5-carboxamide 4-chloro-3-ethyl-1-methyl-N-((4-(4-methylphenoxy)phenyl)methyl)-1H-pyrazole-5-carboxamide 4-chloro-3-ethyl-1-methyl-N-[4-(4-methylphenoxy)benzyl]-1H-pyrazole-5-carboxamide 4-CHLORO-3-ETHYL-1-METHYL-N-[4-(P-TOLYLOXY)BENZYL]PYRAZOLE-5-CARBOXAMIDE OMI 88 UNII-OHA74571QT C21H22ClN3O2 4-chloro-5-ethyl-2-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyrazole-3-carboxamide SCHEMBL26416 CHEMBL2229099 DTXSID6057952 BCP24108 MFCD08273850 AKOS015911384 CS-3302 Tolfenpyrad 1000 microg/mL in Acetone NCGC00390682-01 1ST20420 AS-17574 DA-78527 HY-17516 Tolfenpyrad 10 microg/mL in Acetonitrile NS00001336 T3774 C18491 Tolfenpyrad, PESTANAL(R), analytical standard SR-05000022482 J-005692 SR-05000022482-1 Q19310096 N-[4-(4-methylphenoxy)benzyl]-4-chloro-3-ethyl-1-methyl-5-pyrazolecarboxamide 1H-Pyrazole-5-carboxamide, 4-chloro-3-ethyl-1-methyl-N-[[4-(4-ethylphenoxy)phenyl]methyl]- |
Computed Descriptors
| IUPAC Name | 4-chloro-5-ethyl-2-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyrazole-3-carboxamide |
| SMILES | CCC1=NN(C(=C1Cl)C(=O)NCC2=CC=C(C=C2)OC3=CC=C(C=C3)C)C |
| Canonical SMILES | CCC1=NN(C(=C1Cl)C(=O)NCC2=CC=C(C=C2)OC3=CC=C(C=C3)C)C |
| InChI | InChI=1S/C21H22ClN3O2/c1-4-18-19(22)20(25(3)24-18)21(26)23-13-15-7-11-17(12-8-15)27-16-9-5-14(2)6-10-16/h5-12H,4,13H2,1-3H3,(H,23,26) |
| InChIKey | WPALTCMYPARVNV-UHFFFAOYSA-N |
Computed Properties
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| Molecular Weight | 383.9 g/mol |
| XLogP3 | 4.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 6 |
| Exact Mass | 383.14 |
| Monoisotopic Mass | 383.14 |
| Topological Polar Surface Area | 56.2 |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 476 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
2 pairs of Verified P450 and Tolfenpyrad
| Insect | Gene Symbol | Validation | Reference |
|---|---|---|---|
| Glyphodes pyloalis | CYP333A36 | R | |
| Glyphodes pyloalis | CYP6ABE1 | R |