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

C21H19ClF3N3O4 — CID 57458354

IUPAC2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(4,5-dimethoxy-2-methylphenyl)acetamide
SMILESCOc1cc(C)c(NC(=O)COc2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1OC
InChIInChI=1S/C21H19ClF3N3O4/c1-12-8-16(30-2)17(31-3)9-14(12)26-19(29)11-32-20-10-18(21(23,24)25)27-28(20)15-7-5-4-6-13(15)22/h4-10H,11H2,1-3H3,(H,26,29)
InChIKeyMTELAXPACDEKTE-UHFFFAOYSA-N
MW469.85 g/mol
LogP4.89
Rot. Bonds7

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

2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(4,5-dimethoxy-2-methylphenyl)acetamide (PubChem CID 57458354) has the molecular formula C21H19ClF3N3O4 and a molecular weight of 469.85 g/mol. Its IUPAC name is 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(4,5-dimethoxy-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(4,5-dimethoxy-2-methylphenyl)acetamide
PubChem CID57458354
Molecular FormulaC21H19ClF3N3O4
Molecular Weight469.85 g/mol
Exact Mass469.10
IUPAC Name2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(4,5-dimethoxy-2-methylphenyl)acetamide
SMILESCOc1cc(C)c(NC(=O)COc2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1OC
InChIInChI=1S/C21H19ClF3N3O4/c1-12-8-16(30-2)17(31-3)9-14(12)26-19(29)11-32-20-10-18(21(23,24)25)27-28(20)15-7-5-4-6-13(15)22/h4-10H,11H2,1-3H3,(H,26,29)
InChIKeyMTELAXPACDEKTE-UHFFFAOYSA-N
XLogP4.89
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.85
LogP ≤ 54.89
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-(4,5-dimethoxy-2-methylphenyl)acetamide?
The IUPAC name of 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(4,5-dimethoxy-2-methylphenyl)acetamide (CID 57458354) is 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(4,5-dimethoxy-2-methylphenyl)acetamide.
What is the SMILES notation for 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(4,5-dimethoxy-2-methylphenyl)acetamide?
The canonical SMILES for 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(4,5-dimethoxy-2-methylphenyl)acetamide is COc1cc(C)c(NC(=O)COc2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1OC.
What is the InChIKey of 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(4,5-dimethoxy-2-methylphenyl)acetamide?
The InChIKey is MTELAXPACDEKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClF3N3O4/c1-12-8-16(30-2)17(31-3)9-14(12)26-19(29)11-32-20-10-18(21(23,24)25)27-28(20)15-7-5-4-6-13(15)22/h4-10H,11H2,1-3H3,(H,26,29).
What are the key properties of 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(4,5-dimethoxy-2-methylphenyl)acetamide?
2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(4,5-dimethoxy-2-methylphenyl)acetamide has a molecular weight of 469.85 g/mol, XLogP of 4.89, 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-(4,5-dimethoxy-2-methylphenyl)acetamide is sourced from PubChem (CID 57458354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).