4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-[2-(3-methoxyphenyl)ethyl]benzamide

C26H21ClF3N3O2 — CID 59632302

About 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-[2-(3-methoxyphenyl)ethyl]benzamide

4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-[2-(3-methoxyphenyl)ethyl]benzamide (PubChem CID 59632302) has the molecular formula C26H21ClF3N3O2 and a molecular weight of 499.92 g/mol. Its IUPAC name is 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-[2-(3-methoxyphenyl)ethyl]benzamide.

Molecular Properties

• Compound Name: 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-[2-(3-methoxyphenyl)ethyl]benzamide
• PubChem CID: 59632302
• Molecular Formula: C26H21ClF3N3O2
• Molecular Weight: 499.92 g/mol
• Exact Mass: 499.13
• IUPAC Name: 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-[2-(3-methoxyphenyl)ethyl]benzamide
• SMILES: COc1cccc(CCNC(=O)c2ccc(-c3cc(C(F)(F)F)nn3-c3ccccc3Cl)cc2)c1
• InChI: InChI=1S/C26H21ClF3N3O2/c1-35-20-6-4-5-17(15-20)13-14-31-25(34)19-11-9-18(10-12-19)23-16-24(26(28,29)30)32-33(23)22-8-3-2-7-21(22)27/h2-12,15-16H,13-14H2,1H3,(H,31,34)
• InChIKey: HVUQDDBPZUKTIW-UHFFFAOYSA-N
• XLogP: 6.19
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	499.92
LogP ≤ 5	6.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-[2-(3-methoxyphenyl)ethyl]benzamide?

The IUPAC name of 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-[2-(3-methoxyphenyl)ethyl]benzamide (CID 59632302) is 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-[2-(3-methoxyphenyl)ethyl]benzamide.

What is the SMILES notation for 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-[2-(3-methoxyphenyl)ethyl]benzamide?

The canonical SMILES for 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-[2-(3-methoxyphenyl)ethyl]benzamide is COc1cccc(CCNC(=O)c2ccc(-c3cc(C(F)(F)F)nn3-c3ccccc3Cl)cc2)c1.

What is the InChIKey of 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-[2-(3-methoxyphenyl)ethyl]benzamide?

The InChIKey is HVUQDDBPZUKTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClF3N3O2/c1-35-20-6-4-5-17(15-20)13-14-31-25(34)19-11-9-18(10-12-19)23-16-24(26(28,29)30)32-33(23)22-8-3-2-7-21(22)27/h2-12,15-16H,13-14H2,1H3,(H,31,34).

What are the key properties of 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-[2-(3-methoxyphenyl)ethyl]benzamide?

4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-[2-(3-methoxyphenyl)ethyl]benzamide has a molecular weight of 499.92 g/mol, XLogP of 6.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-[2-(3-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 59632302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).