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

C19H12ClF6N3O2 — CID 57458245

IUPAC2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(COc1cc(C(F)(F)F)nn1-c1ccccc1Cl)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H12ClF6N3O2/c20-13-3-1-2-4-14(13)29-17(9-15(28-29)19(24,25)26)31-10-16(30)27-12-7-5-11(6-8-12)18(21,22)23/h1-9H,10H2,(H,27,30)
InChIKeyBDYYRXOPPXXUQT-UHFFFAOYSA-N
MW463.77 g/mol
LogP5.58
Rot. Bonds5

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

2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 57458245) has the molecular formula C19H12ClF6N3O2 and a molecular weight of 463.77 g/mol. Its IUPAC name is 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID57458245
Molecular FormulaC19H12ClF6N3O2
Molecular Weight463.77 g/mol
Exact Mass463.05
IUPAC Name2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(COc1cc(C(F)(F)F)nn1-c1ccccc1Cl)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H12ClF6N3O2/c20-13-3-1-2-4-14(13)29-17(9-15(28-29)19(24,25)26)31-10-16(30)27-12-7-5-11(6-8-12)18(21,22)23/h1-9H,10H2,(H,27,30)
InChIKeyBDYYRXOPPXXUQT-UHFFFAOYSA-N
XLogP5.58
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.77
LogP ≤ 55.58
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-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[4-(trifluoromethyl)phenyl]acetamide (CID 57458245) is 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[4-(trifluoromethyl)phenyl]acetamide is O=C(COc1cc(C(F)(F)F)nn1-c1ccccc1Cl)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is BDYYRXOPPXXUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClF6N3O2/c20-13-3-1-2-4-14(13)29-17(9-15(28-29)19(24,25)26)31-10-16(30)27-12-7-5-11(6-8-12)18(21,22)23/h1-9H,10H2,(H,27,30).
What are the key properties of 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[4-(trifluoromethyl)phenyl]acetamide?
2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 463.77 g/mol, XLogP of 5.58, 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-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 57458245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).