1-[[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-7-azabicyclo[2.2.1]heptane

C16H23F3N4 — CID 136572266

About 1-[[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-7-azabicyclo[2.2.1]heptane

1-[[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-7-azabicyclo[2.2.1]heptane (PubChem CID 136572266) has the molecular formula C16H23F3N4 and a molecular weight of 328.38 g/mol. Its IUPAC name is 1-[[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-7-azabicyclo[2.2.1]heptane.

Molecular Properties

• Compound Name: 1-[[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-7-azabicyclo[2.2.1]heptane
• PubChem CID: 136572266
• Molecular Formula: C16H23F3N4
• Molecular Weight: 328.38 g/mol
• Exact Mass: 328.19
• IUPAC Name: 1-[[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-7-azabicyclo[2.2.1]heptane
• SMILES: FC(F)(F)c1cc(C2CCCN(CC34CCC(CC3)N4)C2)[nH]n1
• InChI: InChI=1S/C16H23F3N4/c17-16(18,19)14-8-13(21-22-14)11-2-1-7-23(9-11)10-15-5-3-12(20-15)4-6-15/h8,11-12,20H,1-7,9-10H2,(H,21,22)
• InChIKey: DBXXBTKXHUALGK-UHFFFAOYSA-N
• XLogP: 2.89
• TPSA: 43.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	328.38
LogP ≤ 5	2.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-7-azabicyclo[2.2.1]heptane?

The IUPAC name of 1-[[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-7-azabicyclo[2.2.1]heptane (CID 136572266) is 1-[[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-7-azabicyclo[2.2.1]heptane.

What is the SMILES notation for 1-[[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-7-azabicyclo[2.2.1]heptane?

The canonical SMILES for 1-[[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-7-azabicyclo[2.2.1]heptane is FC(F)(F)c1cc(C2CCCN(CC34CCC(CC3)N4)C2)[nH]n1.

What is the InChIKey of 1-[[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-7-azabicyclo[2.2.1]heptane?

The InChIKey is DBXXBTKXHUALGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N4/c17-16(18,19)14-8-13(21-22-14)11-2-1-7-23(9-11)10-15-5-3-12(20-15)4-6-15/h8,11-12,20H,1-7,9-10H2,(H,21,22).

What are the key properties of 1-[[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-7-azabicyclo[2.2.1]heptane?

1-[[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-7-azabicyclo[2.2.1]heptane has a molecular weight of 328.38 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-7-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 136572266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).