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

C20H17ClF3N3O4 — CID 57458244

IUPAC2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(2,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)COc2cc(C(F)(F)F)nn2-c2ccccc2Cl)c(OC)c1
InChIInChI=1S/C20H17ClF3N3O4/c1-29-12-7-8-14(16(9-12)30-2)25-18(28)11-31-19-10-17(20(22,23)24)26-27(19)15-6-4-3-5-13(15)21/h3-10H,11H2,1-2H3,(H,25,28)
InChIKeyBELLIJGKENJYDR-UHFFFAOYSA-N
MW455.82 g/mol
LogP4.58
Rot. Bonds7

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

2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(2,4-dimethoxyphenyl)acetamide (PubChem CID 57458244) has the molecular formula C20H17ClF3N3O4 and a molecular weight of 455.82 g/mol. Its IUPAC name is 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(2,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(2,4-dimethoxyphenyl)acetamide
PubChem CID57458244
Molecular FormulaC20H17ClF3N3O4
Molecular Weight455.82 g/mol
Exact Mass455.09
IUPAC Name2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(2,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)COc2cc(C(F)(F)F)nn2-c2ccccc2Cl)c(OC)c1
InChIInChI=1S/C20H17ClF3N3O4/c1-29-12-7-8-14(16(9-12)30-2)25-18(28)11-31-19-10-17(20(22,23)24)26-27(19)15-6-4-3-5-13(15)21/h3-10H,11H2,1-2H3,(H,25,28)
InChIKeyBELLIJGKENJYDR-UHFFFAOYSA-N
XLogP4.58
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.82
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(2,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(2,4-dimethoxyphenyl)acetamide (CID 57458244) is 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(2,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(2,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(2,4-dimethoxyphenyl)acetamide is COc1ccc(NC(=O)COc2cc(C(F)(F)F)nn2-c2ccccc2Cl)c(OC)c1.
What is the InChIKey of 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(2,4-dimethoxyphenyl)acetamide?
The InChIKey is BELLIJGKENJYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClF3N3O4/c1-29-12-7-8-14(16(9-12)30-2)25-18(28)11-31-19-10-17(20(22,23)24)26-27(19)15-6-4-3-5-13(15)21/h3-10H,11H2,1-2H3,(H,25,28).
What are the key properties of 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(2,4-dimethoxyphenyl)acetamide?
2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(2,4-dimethoxyphenyl)acetamide has a molecular weight of 455.82 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(2,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 57458244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).