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

C19H15ClF3N3O3 — CID 57458423

IUPAC2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)COc2cc(C(F)(F)F)nn2-c2ccccc2Cl)c1
InChIInChI=1S/C19H15ClF3N3O3/c1-28-13-6-4-5-12(9-13)24-17(27)11-29-18-10-16(19(21,22)23)25-26(18)15-8-3-2-7-14(15)20/h2-10H,11H2,1H3,(H,24,27)
InChIKeyNPBMZJKVNPLYLR-UHFFFAOYSA-N
MW425.79 g/mol
LogP4.57
Rot. Bonds6

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

2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(3-methoxyphenyl)acetamide (PubChem CID 57458423) has the molecular formula C19H15ClF3N3O3 and a molecular weight of 425.79 g/mol. Its IUPAC name is 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(3-methoxyphenyl)acetamide
PubChem CID57458423
Molecular FormulaC19H15ClF3N3O3
Molecular Weight425.79 g/mol
Exact Mass425.08
IUPAC Name2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)COc2cc(C(F)(F)F)nn2-c2ccccc2Cl)c1
InChIInChI=1S/C19H15ClF3N3O3/c1-28-13-6-4-5-12(9-13)24-17(27)11-29-18-10-16(19(21,22)23)25-26(18)15-8-3-2-7-14(15)20/h2-10H,11H2,1H3,(H,24,27)
InChIKeyNPBMZJKVNPLYLR-UHFFFAOYSA-N
XLogP4.57
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.79
LogP ≤ 54.57
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-methoxyphenyl)acetamide?
The IUPAC name of 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(3-methoxyphenyl)acetamide (CID 57458423) is 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(3-methoxyphenyl)acetamide is COc1cccc(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-methoxyphenyl)acetamide?
The InChIKey is NPBMZJKVNPLYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF3N3O3/c1-28-13-6-4-5-12(9-13)24-17(27)11-29-18-10-16(19(21,22)23)25-26(18)15-8-3-2-7-14(15)20/h2-10H,11H2,1H3,(H,24,27).
What are the key properties of 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(3-methoxyphenyl)acetamide?
2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(3-methoxyphenyl)acetamide has a molecular weight of 425.79 g/mol, XLogP of 4.57, 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-methoxyphenyl)acetamide is sourced from PubChem (CID 57458423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).