5-phenyl-7-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine

C20H18F3N7 — CID 133450849

About 5-phenyl-7-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine

5-phenyl-7-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 133450849) has the molecular formula C20H18F3N7 and a molecular weight of 413.41 g/mol. Its IUPAC name is 5-phenyl-7-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

• Compound Name: 5-phenyl-7-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
• PubChem CID: 133450849
• Molecular Formula: C20H18F3N7
• Molecular Weight: 413.41 g/mol
• Exact Mass: 413.16
• IUPAC Name: 5-phenyl-7-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
• SMILES: FC(F)(F)c1ccn(C2CCCN(c3cc(-c4ccccc4)nc4ncnn34)C2)n1
• InChI: InChI=1S/C20H18F3N7/c21-20(22,23)17-8-10-29(27-17)15-7-4-9-28(12-15)18-11-16(14-5-2-1-3-6-14)26-19-24-13-25-30(18)19/h1-3,5-6,8,10-11,13,15H,4,7,9,12H2
• InChIKey: BWVPOBUPJQAJEH-UHFFFAOYSA-N
• XLogP: 3.85
• TPSA: 64.14 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.41
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-7-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?

The IUPAC name of 5-phenyl-7-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine (CID 133450849) is 5-phenyl-7-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine.

What is the SMILES notation for 5-phenyl-7-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?

The canonical SMILES for 5-phenyl-7-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine is FC(F)(F)c1ccn(C2CCCN(c3cc(-c4ccccc4)nc4ncnn34)C2)n1.

What is the InChIKey of 5-phenyl-7-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?

The InChIKey is BWVPOBUPJQAJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N7/c21-20(22,23)17-8-10-29(27-17)15-7-4-9-28(12-15)18-11-16(14-5-2-1-3-6-14)26-19-24-13-25-30(18)19/h1-3,5-6,8,10-11,13,15H,4,7,9,12H2.

What are the key properties of 5-phenyl-7-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?

5-phenyl-7-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 413.41 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-phenyl-7-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 133450849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).