2-[1-(2-hydroxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[2-(2-methoxyphenyl)ethyl]acetamide

C21H20F3N3O4 — CID 162556090

IUPAC2-[1-(2-hydroxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[2-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1CCNC(=O)COc1cc(C(F)(F)F)nn1-c1ccccc1O
InChIInChI=1S/C21H20F3N3O4/c1-30-17-9-5-2-6-14(17)10-11-25-19(29)13-31-20-12-18(21(22,23)24)26-27(20)15-7-3-4-8-16(15)28/h2-9,12,28H,10-11,13H2,1H3,(H,25,29)
InChIKeyMYOQPIUDJHIRIE-UHFFFAOYSA-N
MW435.40 g/mol
LogP3.34
Rot. Bonds8

About 2-[1-(2-hydroxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[2-(2-methoxyphenyl)ethyl]acetamide

2-[1-(2-hydroxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[2-(2-methoxyphenyl)ethyl]acetamide (PubChem CID 162556090) has the molecular formula C21H20F3N3O4 and a molecular weight of 435.40 g/mol. Its IUPAC name is 2-[1-(2-hydroxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[2-(2-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[1-(2-hydroxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[2-(2-methoxyphenyl)ethyl]acetamide
PubChem CID162556090
Molecular FormulaC21H20F3N3O4
Molecular Weight435.40 g/mol
Exact Mass435.14
IUPAC Name2-[1-(2-hydroxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[2-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1CCNC(=O)COc1cc(C(F)(F)F)nn1-c1ccccc1O
InChIInChI=1S/C21H20F3N3O4/c1-30-17-9-5-2-6-14(17)10-11-25-19(29)13-31-20-12-18(21(22,23)24)26-27(20)15-7-3-4-8-16(15)28/h2-9,12,28H,10-11,13H2,1H3,(H,25,29)
InChIKeyMYOQPIUDJHIRIE-UHFFFAOYSA-N
XLogP3.34
TPSA85.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.40
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 57458490
2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 59240395
2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[2-(2,4-dimethylphenyl)ethyl]acetamide
CID 67337764
2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(naphthalen-1-ylmethyl)acetamide
CID 57458468
N-[2-(2-methoxyphenyl)ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 8510041
2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[(3-methoxyphenyl)methyl]acetamide
CID 57458282
2-(3,4-dimethylphenoxy)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 26777794
N-[2-(2-methoxyphenyl)ethyl]-2-phenoxyacetamide
CID 8911196
2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(5-methoxy-2-methylphenyl)acetamide
CID 57458246
N-[2-(2-methoxyphenyl)ethyl]-2-naphthalen-2-yloxyacetamide
CID 26181291
2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[2-(2-methyl-1H-indol-3-yl)ethyl]acetamide
CID 57458327
N-[2-(2-methoxyphenyl)ethyl]-2-[2-(2,2,2-trifluoroethoxy)anilino]acetamide
CID 86920518

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-hydroxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[2-(2-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[1-(2-hydroxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[2-(2-methoxyphenyl)ethyl]acetamide (CID 162556090) is 2-[1-(2-hydroxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[2-(2-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[1-(2-hydroxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[2-(2-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[1-(2-hydroxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[2-(2-methoxyphenyl)ethyl]acetamide is COc1ccccc1CCNC(=O)COc1cc(C(F)(F)F)nn1-c1ccccc1O.
What is the InChIKey of 2-[1-(2-hydroxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[2-(2-methoxyphenyl)ethyl]acetamide?
The InChIKey is MYOQPIUDJHIRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O4/c1-30-17-9-5-2-6-14(17)10-11-25-19(29)13-31-20-12-18(21(22,23)24)26-27(20)15-7-3-4-8-16(15)28/h2-9,12,28H,10-11,13H2,1H3,(H,25,29).
What are the key properties of 2-[1-(2-hydroxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[2-(2-methoxyphenyl)ethyl]acetamide?
2-[1-(2-hydroxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[2-(2-methoxyphenyl)ethyl]acetamide has a molecular weight of 435.40 g/mol, XLogP of 3.34, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-hydroxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[2-(2-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 162556090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).