2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[(3-methylphenyl)methyl]acetamide

C20H17ClF3N3O2 — CID 57458280

IUPAC2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[(3-methylphenyl)methyl]acetamide
SMILESCc1cccc(CNC(=O)COc2cc(C(F)(F)F)nn2-c2ccccc2Cl)c1
InChIInChI=1S/C20H17ClF3N3O2/c1-13-5-4-6-14(9-13)11-25-18(28)12-29-19-10-17(20(22,23)24)26-27(19)16-8-3-2-7-15(16)21/h2-10H,11-12H2,1H3,(H,25,28)
InChIKeyXSWVGWVOCCIIEX-UHFFFAOYSA-N
MW423.82 g/mol
LogP4.55
Rot. Bonds6

About 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[(3-methylphenyl)methyl]acetamide

2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[(3-methylphenyl)methyl]acetamide (PubChem CID 57458280) has the molecular formula C20H17ClF3N3O2 and a molecular weight of 423.82 g/mol. Its IUPAC name is 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[(3-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[(3-methylphenyl)methyl]acetamide
PubChem CID57458280
Molecular FormulaC20H17ClF3N3O2
Molecular Weight423.82 g/mol
Exact Mass423.10
IUPAC Name2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[(3-methylphenyl)methyl]acetamide
SMILESCc1cccc(CNC(=O)COc2cc(C(F)(F)F)nn2-c2ccccc2Cl)c1
InChIInChI=1S/C20H17ClF3N3O2/c1-13-5-4-6-14(9-13)11-25-18(28)12-29-19-10-17(20(22,23)24)26-27(19)16-8-3-2-7-15(16)21/h2-10H,11-12H2,1H3,(H,25,28)
InChIKeyXSWVGWVOCCIIEX-UHFFFAOYSA-N
XLogP4.55
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.82
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]oxycyclohexyl]-2,2,2-trifluoroacetamide
CID 73296843
N-(2,4-dichlorophenyl)-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyacetamide
CID 2801296
2-(4-chlorophenoxy)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]acetamide
CID 9501782
2-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]oxy-N-[(2-methoxyphenyl)methyl]acetamide
CID 2424036
2-(2,4-difluorophenoxy)-N-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methyl]acetamide
CID 1223628
2-[2-(2-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]oxy-N-(2-methoxy-5-phenylphenyl)acetamide
CID 57458242
2-[2-(2-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]oxy-N-(2,6-dichlorophenyl)acetamide
CID 57458243
2-[2-(2-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]oxy-N-[4-(trifluoromethyl)phenyl]acetamide
CID 57458245
2-[2-(2-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]oxy-N-(5-methoxy-2-methylphenyl)acetamide
CID 57458246
2-[2-(2-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]oxy-N-(2-methylphenyl)acetamide
CID 57458247
2-[2-(2-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]oxy-N-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide
CID 57458248
2-[2-(2-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]oxy-N-(3,5-difluorophenyl)acetamide
CID 57458249

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[(3-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[(3-methylphenyl)methyl]acetamide (CID 57458280) is 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[(3-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[(3-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[(3-methylphenyl)methyl]acetamide is Cc1cccc(CNC(=O)COc2cc(C(F)(F)F)nn2-c2ccccc2Cl)c1.
What is the InChIKey of 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[(3-methylphenyl)methyl]acetamide?
The InChIKey is XSWVGWVOCCIIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClF3N3O2/c1-13-5-4-6-14(9-13)11-25-18(28)12-29-19-10-17(20(22,23)24)26-27(19)16-8-3-2-7-15(16)21/h2-10H,11-12H2,1H3,(H,25,28).
What are the key properties of 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[(3-methylphenyl)methyl]acetamide?
2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[(3-methylphenyl)methyl]acetamide has a molecular weight of 423.82 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[(3-methylphenyl)methyl]acetamide is sourced from PubChem (CID 57458280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).