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

C20H16ClF3N6O2 — CID 57458306

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

2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[(1-methylbenzotriazol-5-yl)methyl]acetamide (PubChem CID 57458306) has the molecular formula C20H16ClF3N6O2 and a molecular weight of 464.84 g/mol. Its IUPAC name is 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[(1-methylbenzotriazol-5-yl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[(1-methylbenzotriazol-5-yl)methyl]acetamide
• PubChem CID: 57458306
• Molecular Formula: C20H16ClF3N6O2
• Molecular Weight: 464.84 g/mol
• Exact Mass: 464.10
• IUPAC Name: 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[(1-methylbenzotriazol-5-yl)methyl]acetamide
• SMILES: Cn1nnc2cc(CNC(=O)COc3cc(C(F)(F)F)nn3-c3ccccc3Cl)ccc21
• InChI: InChI=1S/C20H16ClF3N6O2/c1-29-16-7-6-12(8-14(16)26-28-29)10-25-18(31)11-32-19-9-17(20(22,23)24)27-30(19)15-5-3-2-4-13(15)21/h2-9H,10-11H2,1H3,(H,25,31)
• InChIKey: VFMCWQRVEFQESA-UHFFFAOYSA-N
• XLogP: 3.52
• TPSA: 86.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.84
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[(1-methylbenzotriazol-5-yl)methyl]acetamide (CID 57458306) is 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[(1-methylbenzotriazol-5-yl)methyl]acetamide.

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

The canonical SMILES for 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[(1-methylbenzotriazol-5-yl)methyl]acetamide is Cn1nnc2cc(CNC(=O)COc3cc(C(F)(F)F)nn3-c3ccccc3Cl)ccc21.

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

The InChIKey is VFMCWQRVEFQESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClF3N6O2/c1-29-16-7-6-12(8-14(16)26-28-29)10-25-18(31)11-32-19-9-17(20(22,23)24)27-30(19)15-5-3-2-4-13(15)21/h2-9H,10-11H2,1H3,(H,25,31).

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

2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[(1-methylbenzotriazol-5-yl)methyl]acetamide has a molecular weight of 464.84 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[(1-methylbenzotriazol-5-yl)methyl]acetamide is sourced from PubChem (CID 57458306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).