N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(2,2,2-trifluoroethoxy)benzamide

C19H13Cl3F3N3O2 — CID 19396864

IUPACN-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(2,2,2-trifluoroethoxy)benzamide
SMILESO=C(Nc1nn(Cc2ccc(Cl)cc2Cl)cc1Cl)c1cccc(OCC(F)(F)F)c1
InChIInChI=1S/C19H13Cl3F3N3O2/c20-13-5-4-12(15(21)7-13)8-28-9-16(22)17(27-28)26-18(29)11-2-1-3-14(6-11)30-10-19(23,24)25/h1-7,9H,8,10H2,(H,26,27,29)
InChIKeyWILKWLFBTQUFJM-UHFFFAOYSA-N
MW478.69 g/mol
LogP6.09
Rot. Bonds6

About N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(2,2,2-trifluoroethoxy)benzamide

N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(2,2,2-trifluoroethoxy)benzamide (PubChem CID 19396864) has the molecular formula C19H13Cl3F3N3O2 and a molecular weight of 478.69 g/mol. Its IUPAC name is N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(2,2,2-trifluoroethoxy)benzamide.

Molecular Properties

Compound NameN-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(2,2,2-trifluoroethoxy)benzamide
PubChem CID19396864
Molecular FormulaC19H13Cl3F3N3O2
Molecular Weight478.69 g/mol
Exact Mass477.00
IUPAC NameN-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(2,2,2-trifluoroethoxy)benzamide
SMILESO=C(Nc1nn(Cc2ccc(Cl)cc2Cl)cc1Cl)c1cccc(OCC(F)(F)F)c1
InChIInChI=1S/C19H13Cl3F3N3O2/c20-13-5-4-12(15(21)7-13)8-28-9-16(22)17(27-28)26-18(29)11-2-1-3-14(6-11)30-10-19(23,24)25/h1-7,9H,8,10H2,(H,26,27,29)
InChIKeyWILKWLFBTQUFJM-UHFFFAOYSA-N
XLogP6.09
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.69
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-3-(2,2,2-trifluoroethoxy)benzamide
CID 19402974
N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-[(3-chlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19276566
N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(difluoromethoxy)benzamide
CID 19287829
N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(2,2,2-trifluoroethoxymethyl)benzamide
CID 19407248
N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(trifluoromethyl)benzamide
CID 19344959
N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2,2,2-trifluoroacetamide
CID 19396848
N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-phenylbenzamide
CID 19396909
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(2,2,2-trifluoroethoxy)benzamide
CID 19283768
N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-(phenoxymethyl)pyrazole-3-carboxamide
CID 19271176
N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-[(2,6-dimethylphenoxy)methyl]benzamide
CID 19396885
N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-[(3-chloro-4-fluorophenoxy)methyl]pyrazole-3-carboxamide
CID 19268777
N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
CID 19396775

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(2,2,2-trifluoroethoxy)benzamide?
The IUPAC name of N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(2,2,2-trifluoroethoxy)benzamide (CID 19396864) is N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(2,2,2-trifluoroethoxy)benzamide.
What is the SMILES notation for N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(2,2,2-trifluoroethoxy)benzamide?
The canonical SMILES for N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(2,2,2-trifluoroethoxy)benzamide is O=C(Nc1nn(Cc2ccc(Cl)cc2Cl)cc1Cl)c1cccc(OCC(F)(F)F)c1.
What is the InChIKey of N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(2,2,2-trifluoroethoxy)benzamide?
The InChIKey is WILKWLFBTQUFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl3F3N3O2/c20-13-5-4-12(15(21)7-13)8-28-9-16(22)17(27-28)26-18(29)11-2-1-3-14(6-11)30-10-19(23,24)25/h1-7,9H,8,10H2,(H,26,27,29).
What are the key properties of N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(2,2,2-trifluoroethoxy)benzamide?
N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(2,2,2-trifluoroethoxy)benzamide has a molecular weight of 478.69 g/mol, XLogP of 6.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(2,2,2-trifluoroethoxy)benzamide is sourced from PubChem (CID 19396864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).