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

C20H18ClF3N4O2 — CID 57458256

IUPAC2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[3-(dimethylamino)phenyl]acetamide
SMILESCN(C)c1cccc(NC(=O)COc2cc(C(F)(F)F)nn2-c2ccccc2Cl)c1
InChIInChI=1S/C20H18ClF3N4O2/c1-27(2)14-7-5-6-13(10-14)25-18(29)12-30-19-11-17(20(22,23)24)26-28(19)16-9-4-3-8-15(16)21/h3-11H,12H2,1-2H3,(H,25,29)
InChIKeyFZBPDYPLCFPXTO-UHFFFAOYSA-N
MW438.84 g/mol
LogP4.63
Rot. Bonds6

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

2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[3-(dimethylamino)phenyl]acetamide (PubChem CID 57458256) has the molecular formula C20H18ClF3N4O2 and a molecular weight of 438.84 g/mol. Its IUPAC name is 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[3-(dimethylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[3-(dimethylamino)phenyl]acetamide
PubChem CID57458256
Molecular FormulaC20H18ClF3N4O2
Molecular Weight438.84 g/mol
Exact Mass438.11
IUPAC Name2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[3-(dimethylamino)phenyl]acetamide
SMILESCN(C)c1cccc(NC(=O)COc2cc(C(F)(F)F)nn2-c2ccccc2Cl)c1
InChIInChI=1S/C20H18ClF3N4O2/c1-27(2)14-7-5-6-13(10-14)25-18(29)12-30-19-11-17(20(22,23)24)26-28(19)16-9-4-3-8-15(16)21/h3-11H,12H2,1-2H3,(H,25,29)
InChIKeyFZBPDYPLCFPXTO-UHFFFAOYSA-N
XLogP4.63
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.84
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[3-(dimethylamino)phenyl]acetamide?
The IUPAC name of 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[3-(dimethylamino)phenyl]acetamide (CID 57458256) is 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[3-(dimethylamino)phenyl]acetamide.
What is the SMILES notation for 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[3-(dimethylamino)phenyl]acetamide?
The canonical SMILES for 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[3-(dimethylamino)phenyl]acetamide is CN(C)c1cccc(NC(=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-(dimethylamino)phenyl]acetamide?
The InChIKey is FZBPDYPLCFPXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClF3N4O2/c1-27(2)14-7-5-6-13(10-14)25-18(29)12-30-19-11-17(20(22,23)24)26-28(19)16-9-4-3-8-15(16)21/h3-11H,12H2,1-2H3,(H,25,29).
What are the key properties of 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[3-(dimethylamino)phenyl]acetamide?
2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[3-(dimethylamino)phenyl]acetamide has a molecular weight of 438.84 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[3-(dimethylamino)phenyl]acetamide is sourced from PubChem (CID 57458256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).