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

C18H13ClF3N3O2 — CID 57458252

IUPAC2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-phenylacetamide
SMILESO=C(COc1cc(C(F)(F)F)nn1-c1ccccc1Cl)Nc1ccccc1
InChIInChI=1S/C18H13ClF3N3O2/c19-13-8-4-5-9-14(13)25-17(10-15(24-25)18(20,21)22)27-11-16(26)23-12-6-2-1-3-7-12/h1-10H,11H2,(H,23,26)
InChIKeyBSNQJKDSHQYNGG-UHFFFAOYSA-N
MW395.77 g/mol
LogP4.56
Rot. Bonds5

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

2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-phenylacetamide (PubChem CID 57458252) has the molecular formula C18H13ClF3N3O2 and a molecular weight of 395.77 g/mol. Its IUPAC name is 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-phenylacetamide.

Molecular Properties

Compound Name2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-phenylacetamide
PubChem CID57458252
Molecular FormulaC18H13ClF3N3O2
Molecular Weight395.77 g/mol
Exact Mass395.06
IUPAC Name2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-phenylacetamide
SMILESO=C(COc1cc(C(F)(F)F)nn1-c1ccccc1Cl)Nc1ccccc1
InChIInChI=1S/C18H13ClF3N3O2/c19-13-8-4-5-9-14(13)25-17(10-15(24-25)18(20,21)22)27-11-16(26)23-12-6-2-1-3-7-12/h1-10H,11H2,(H,23,26)
InChIKeyBSNQJKDSHQYNGG-UHFFFAOYSA-N
XLogP4.56
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.77
LogP ≤ 54.56
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-phenylacetamide?
The IUPAC name of 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-phenylacetamide (CID 57458252) is 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-phenylacetamide.
What is the SMILES notation for 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-phenylacetamide?
The canonical SMILES for 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-phenylacetamide is O=C(COc1cc(C(F)(F)F)nn1-c1ccccc1Cl)Nc1ccccc1.
What is the InChIKey of 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-phenylacetamide?
The InChIKey is BSNQJKDSHQYNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF3N3O2/c19-13-8-4-5-9-14(13)25-17(10-15(24-25)18(20,21)22)27-11-16(26)23-12-6-2-1-3-7-12/h1-10H,11H2,(H,23,26).
What are the key properties of 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-phenylacetamide?
2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-phenylacetamide has a molecular weight of 395.77 g/mol, XLogP of 4.56, 5 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-phenylacetamide is sourced from PubChem (CID 57458252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).