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

C20H14ClF6N3O2 — CID 57458279

IUPAC2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
SMILESO=C(COc1cc(C(F)(F)F)nn1-c1ccccc1Cl)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H14ClF6N3O2/c21-14-3-1-2-4-15(14)30-18(9-16(29-30)20(25,26)27)32-11-17(31)28-10-12-5-7-13(8-6-12)19(22,23)24/h1-9H,10-11H2,(H,28,31)
InChIKeyQRYKVMBEAFGYMQ-UHFFFAOYSA-N
MW477.79 g/mol
LogP5.26
Rot. Bonds6

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

2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 57458279) has the molecular formula C20H14ClF6N3O2 and a molecular weight of 477.79 g/mol. Its IUPAC name is 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID57458279
Molecular FormulaC20H14ClF6N3O2
Molecular Weight477.79 g/mol
Exact Mass477.07
IUPAC Name2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
SMILESO=C(COc1cc(C(F)(F)F)nn1-c1ccccc1Cl)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H14ClF6N3O2/c21-14-3-1-2-4-15(14)30-18(9-16(29-30)20(25,26)27)32-11-17(31)28-10-12-5-7-13(8-6-12)19(22,23)24/h1-9H,10-11H2,(H,28,31)
InChIKeyQRYKVMBEAFGYMQ-UHFFFAOYSA-N
XLogP5.26
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.79
LogP ≤ 55.26
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]methyl]acetamide?
The IUPAC name of 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide (CID 57458279) is 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide is O=C(COc1cc(C(F)(F)F)nn1-c1ccccc1Cl)NCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is QRYKVMBEAFGYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF6N3O2/c21-14-3-1-2-4-15(14)30-18(9-16(29-30)20(25,26)27)32-11-17(31)28-10-12-5-7-13(8-6-12)19(22,23)24/h1-9H,10-11H2,(H,28,31).
What are the key properties of 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 477.79 g/mol, XLogP of 5.26, 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-[[4-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 57458279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).