4-[4-(3,5-dichlorophenyl)-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methyl-N-(pyridin-2-ylmethyl)benzamide

C25H19Cl2F3N4O — CID 91444748

About 4-[4-(3,5-dichlorophenyl)-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methyl-N-(pyridin-2-ylmethyl)benzamide

4-[4-(3,5-dichlorophenyl)-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methyl-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 91444748) has the molecular formula C25H19Cl2F3N4O and a molecular weight of 519.35 g/mol. Its IUPAC name is 4-[4-(3,5-dichlorophenyl)-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methyl-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

• Compound Name: 4-[4-(3,5-dichlorophenyl)-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methyl-N-(pyridin-2-ylmethyl)benzamide
• PubChem CID: 91444748
• Molecular Formula: C25H19Cl2F3N4O
• Molecular Weight: 519.35 g/mol
• Exact Mass: 518.09
• IUPAC Name: 4-[4-(3,5-dichlorophenyl)-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methyl-N-(pyridin-2-ylmethyl)benzamide
• SMILES: Cc1cc(-n2nc(C(F)(F)F)c(-c3cc(Cl)cc(Cl)c3)c2C)ccc1C(=O)NCc1ccccn1
• InChI: InChI=1S/C25H19Cl2F3N4O/c1-14-9-20(6-7-21(14)24(35)32-13-19-5-3-4-8-31-19)34-15(2)22(23(33-34)25(28,29)30)16-10-17(26)12-18(27)11-16/h3-12H,13H2,1-2H3,(H,32,35)
• InChIKey: SMXLKOPXPBOOFL-UHFFFAOYSA-N
• XLogP: 6.81
• TPSA: 59.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	519.35
LogP ≤ 5	6.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,5-dichlorophenyl)-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methyl-N-(pyridin-2-ylmethyl)benzamide?

The IUPAC name of 4-[4-(3,5-dichlorophenyl)-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methyl-N-(pyridin-2-ylmethyl)benzamide (CID 91444748) is 4-[4-(3,5-dichlorophenyl)-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methyl-N-(pyridin-2-ylmethyl)benzamide.

What is the SMILES notation for 4-[4-(3,5-dichlorophenyl)-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methyl-N-(pyridin-2-ylmethyl)benzamide?

The canonical SMILES for 4-[4-(3,5-dichlorophenyl)-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methyl-N-(pyridin-2-ylmethyl)benzamide is Cc1cc(-n2nc(C(F)(F)F)c(-c3cc(Cl)cc(Cl)c3)c2C)ccc1C(=O)NCc1ccccn1.

What is the InChIKey of 4-[4-(3,5-dichlorophenyl)-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methyl-N-(pyridin-2-ylmethyl)benzamide?

The InChIKey is SMXLKOPXPBOOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19Cl2F3N4O/c1-14-9-20(6-7-21(14)24(35)32-13-19-5-3-4-8-31-19)34-15(2)22(23(33-34)25(28,29)30)16-10-17(26)12-18(27)11-16/h3-12H,13H2,1-2H3,(H,32,35).

What are the key properties of 4-[4-(3,5-dichlorophenyl)-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methyl-N-(pyridin-2-ylmethyl)benzamide?

4-[4-(3,5-dichlorophenyl)-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methyl-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 519.35 g/mol, XLogP of 6.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(3,5-dichlorophenyl)-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methyl-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 91444748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).