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

C22H20ClF4N3O2 — CID 59240093

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

2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]acetamide (PubChem CID 59240093) has the molecular formula C22H20ClF4N3O2 and a molecular weight of 469.87 g/mol. Its IUPAC name is 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]acetamide
• PubChem CID: 59240093
• Molecular Formula: C22H20ClF4N3O2
• Molecular Weight: 469.87 g/mol
• Exact Mass: 469.12
• IUPAC Name: 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]acetamide
• SMILES: CC(C)(Cc1ccc(F)cc1)NC(=O)COc1cc(C(F)(F)F)nn1-c1ccccc1Cl
• InChI: InChI=1S/C22H20ClF4N3O2/c1-21(2,12-14-7-9-15(24)10-8-14)28-19(31)13-32-20-11-18(22(25,26)27)29-30(20)17-6-4-3-5-16(17)23/h3-11H,12-13H2,1-2H3,(H,28,31)
• InChIKey: OSMFEZBQQYTXSD-UHFFFAOYSA-N
• XLogP: 5.20
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.87
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]acetamide?

The IUPAC name of 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]acetamide (CID 59240093) is 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]acetamide.

What is the SMILES notation for 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]acetamide?

The canonical SMILES for 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]acetamide is CC(C)(Cc1ccc(F)cc1)NC(=O)COc1cc(C(F)(F)F)nn1-c1ccccc1Cl.

What is the InChIKey of 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]acetamide?

The InChIKey is OSMFEZBQQYTXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClF4N3O2/c1-21(2,12-14-7-9-15(24)10-8-14)28-19(31)13-32-20-11-18(22(25,26)27)29-30(20)17-6-4-3-5-16(17)23/h3-11H,12-13H2,1-2H3,(H,28,31).

What are the key properties of 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]acetamide?

2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]acetamide has a molecular weight of 469.87 g/mol, XLogP of 5.20, 7 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-[1-(4-fluorophenyl)-2-methylpropan-2-yl]acetamide is sourced from PubChem (CID 59240093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).