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

C23H17ClF3N3O2 — CID 57458468

IUPAC2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(naphthalen-1-ylmethyl)acetamide
SMILESO=C(COc1cc(C(F)(F)F)nn1-c1ccccc1Cl)NCc1cccc2ccccc12
InChIInChI=1S/C23H17ClF3N3O2/c24-18-10-3-4-11-19(18)30-22(12-20(29-30)23(25,26)27)32-14-21(31)28-13-16-8-5-7-15-6-1-2-9-17(15)16/h1-12H,13-14H2,(H,28,31)
InChIKeyXBUALTURQQJWHG-UHFFFAOYSA-N
MW459.86 g/mol
LogP5.39
Rot. Bonds6

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

2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(naphthalen-1-ylmethyl)acetamide (PubChem CID 57458468) has the molecular formula C23H17ClF3N3O2 and a molecular weight of 459.86 g/mol. Its IUPAC name is 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(naphthalen-1-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(naphthalen-1-ylmethyl)acetamide
PubChem CID57458468
Molecular FormulaC23H17ClF3N3O2
Molecular Weight459.86 g/mol
Exact Mass459.10
IUPAC Name2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(naphthalen-1-ylmethyl)acetamide
SMILESO=C(COc1cc(C(F)(F)F)nn1-c1ccccc1Cl)NCc1cccc2ccccc12
InChIInChI=1S/C23H17ClF3N3O2/c24-18-10-3-4-11-19(18)30-22(12-20(29-30)23(25,26)27)32-14-21(31)28-13-16-8-5-7-15-6-1-2-9-17(15)16/h1-12H,13-14H2,(H,28,31)
InChIKeyXBUALTURQQJWHG-UHFFFAOYSA-N
XLogP5.39
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.86
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(naphthalen-1-ylmethyl)acetamide?
The IUPAC name of 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(naphthalen-1-ylmethyl)acetamide (CID 57458468) is 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(naphthalen-1-ylmethyl)acetamide.
What is the SMILES notation for 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(naphthalen-1-ylmethyl)acetamide?
The canonical SMILES for 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(naphthalen-1-ylmethyl)acetamide is O=C(COc1cc(C(F)(F)F)nn1-c1ccccc1Cl)NCc1cccc2ccccc12.
What is the InChIKey of 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(naphthalen-1-ylmethyl)acetamide?
The InChIKey is XBUALTURQQJWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClF3N3O2/c24-18-10-3-4-11-19(18)30-22(12-20(29-30)23(25,26)27)32-14-21(31)28-13-16-8-5-7-15-6-1-2-9-17(15)16/h1-12H,13-14H2,(H,28,31).
What are the key properties of 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(naphthalen-1-ylmethyl)acetamide?
2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(naphthalen-1-ylmethyl)acetamide has a molecular weight of 459.86 g/mol, XLogP of 5.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(naphthalen-1-ylmethyl)acetamide is sourced from PubChem (CID 57458468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).