2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[4-(dimethylamino)phenyl]acetamide

C20H18ClF3N4O2 — CID 57458250

IUPAC2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[4-(dimethylamino)phenyl]acetamide
SMILESCN(C)c1ccc(NC(=O)COc2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1
InChIInChI=1S/C20H18ClF3N4O2/c1-27(2)14-9-7-13(8-10-14)25-18(29)12-30-19-11-17(20(22,23)24)26-28(19)16-6-4-3-5-15(16)21/h3-11H,12H2,1-2H3,(H,25,29)
InChIKeyCTWVTGZPUOSFSK-UHFFFAOYSA-N
MW438.84 g/mol
LogP4.63
Rot. Bonds6

About 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[4-(dimethylamino)phenyl]acetamide

2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[4-(dimethylamino)phenyl]acetamide (PubChem CID 57458250) 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-[4-(dimethylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[4-(dimethylamino)phenyl]acetamide
PubChem CID57458250
Molecular FormulaC20H18ClF3N4O2
Molecular Weight438.84 g/mol
Exact Mass438.11
IUPAC Name2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[4-(dimethylamino)phenyl]acetamide
SMILESCN(C)c1ccc(NC(=O)COc2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1
InChIInChI=1S/C20H18ClF3N4O2/c1-27(2)14-9-7-13(8-10-14)25-18(29)12-30-19-11-17(20(22,23)24)26-28(19)16-6-4-3-5-15(16)21/h3-11H,12H2,1-2H3,(H,25,29)
InChIKeyCTWVTGZPUOSFSK-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-dichlorophenyl)-2-methyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxypropanamide
CID 2801294
N-(2,4-dichlorophenyl)-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyacetamide
CID 2801296
N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-(4-chlorophenoxy)-2-methylpropanamide
CID 10163534
2-[4-chloro-1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-N,N-bis(prop-2-enyl)acetamide
CID 54231388
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-(2,4-dimethoxyphenyl)acetamide
CID 57458244
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
2-[2-(2-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]oxy-N-phenylacetamide
CID 57458252

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[4-(dimethylamino)phenyl]acetamide?
The IUPAC name of 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[4-(dimethylamino)phenyl]acetamide (CID 57458250) is 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[4-(dimethylamino)phenyl]acetamide.
What is the SMILES notation for 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[4-(dimethylamino)phenyl]acetamide?
The canonical SMILES for 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[4-(dimethylamino)phenyl]acetamide is CN(C)c1ccc(NC(=O)COc2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1.
What is the InChIKey of 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[4-(dimethylamino)phenyl]acetamide?
The InChIKey is CTWVTGZPUOSFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClF3N4O2/c1-27(2)14-9-7-13(8-10-14)25-18(29)12-30-19-11-17(20(22,23)24)26-28(19)16-6-4-3-5-15(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-[4-(dimethylamino)phenyl]acetamide?
2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[4-(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-[4-(dimethylamino)phenyl]acetamide is sourced from PubChem (CID 57458250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).