General Information of the Compound
| Compound ID |
CP0002100
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| Compound Name |
ethyl 1-[4-(2,3,3-trichloroprop-2-enoylamino)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate
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| Synonyms |
1-[4-(2,3,3-Trichloro-acryloylamino)-phenyl]-5-trifluoromethyl-1H-pyrazole-4-carboxylic acid ethyl ester
1160514-60-2
AKOS024457787
AOB5992
B7494
CS-0028846
CTK8E8091
DTXSID60719181
Ethyl-1-(4-(2,3,3-trichloroacrylamide)phenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate
GTPL4293
HY-108465
J-003374
MolPort-023-276-923
NCGC00370970-01
Pyr3
Pyr3, >
RT-017534
SCHEMBL12274132
ZINC44607934
ethyl 1-[4-(trichloroprop-2-enamido)phenyl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate
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| Structure |
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| Formula |
C16H11Cl3F3N3O3
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| Molecular Weight |
456.635
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| Canonical SMILES |
CCOC(=O)c1cnn(c1C(F)(F)F)-c1ccc(NC(=O)C(Cl)=C(Cl)Cl)cc1
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| InChI |
InChI=1S/C16H11Cl3F3N3O3/c1-2-28-15(27)10-7-23-25(12(10)16(20,21)22)9-5-3-8(4-6-9)24-14(26)11(17)13(18)19/h3-7H,2H2,1H3,(H,24,26)
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| InChIKey |
RZHGONNSASQOAY-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Clinical Information about the Compound