3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[5-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide

C25H24F3N5O — CID 19345828

About 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[5-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide

3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[5-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide (PubChem CID 19345828) has the molecular formula C25H24F3N5O and a molecular weight of 467.50 g/mol. Its IUPAC name is 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[5-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide.

Molecular Properties

• Compound Name: 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[5-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide
• PubChem CID: 19345828
• Molecular Formula: C25H24F3N5O
• Molecular Weight: 467.50 g/mol
• Exact Mass: 467.19
• IUPAC Name: 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[5-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide
• SMILES: Cc1cc(C)n(Cc2cccc(C(=O)Nc3cc(C)n(Cc4cccc(C(F)(F)F)c4)n3)c2)n1
• InChI: InChI=1S/C25H24F3N5O/c1-16-10-17(2)32(30-16)14-19-6-4-8-21(12-19)24(34)29-23-11-18(3)33(31-23)15-20-7-5-9-22(13-20)25(26,27)28/h4-13H,14-15H2,1-3H3,(H,29,31,34)
• InChIKey: XUCZFWLUDHJVTE-UHFFFAOYSA-N
• XLogP: 5.37
• TPSA: 64.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	467.50
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[5-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide?

The IUPAC name of 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[5-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide (CID 19345828) is 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[5-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide.

What is the SMILES notation for 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[5-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide?

The canonical SMILES for 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[5-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide is Cc1cc(C)n(Cc2cccc(C(=O)Nc3cc(C)n(Cc4cccc(C(F)(F)F)c4)n3)c2)n1.

What is the InChIKey of 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[5-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide?

The InChIKey is XUCZFWLUDHJVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N5O/c1-16-10-17(2)32(30-16)14-19-6-4-8-21(12-19)24(34)29-23-11-18(3)33(31-23)15-20-7-5-9-22(13-20)25(26,27)28/h4-13H,14-15H2,1-3H3,(H,29,31,34).

What are the key properties of 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[5-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide?

3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[5-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide has a molecular weight of 467.50 g/mol, XLogP of 5.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[5-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 19345828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).