1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone

C16H18F3N5O2 — CID 136528346

About 1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone

1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone (PubChem CID 136528346) has the molecular formula C16H18F3N5O2 and a molecular weight of 369.35 g/mol. Its IUPAC name is 1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
• PubChem CID: 136528346
• Molecular Formula: C16H18F3N5O2
• Molecular Weight: 369.35 g/mol
• Exact Mass: 369.14
• IUPAC Name: 1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
• SMILES: O=C(Cn1ccc(C(F)(F)F)n1)N1CCCC(c2noc(C3CC3)n2)C1
• InChI: InChI=1S/C16H18F3N5O2/c17-16(18,19)12-5-7-24(21-12)9-13(25)23-6-1-2-11(8-23)14-20-15(26-22-14)10-3-4-10/h5,7,10-11H,1-4,6,8-9H2
• InChIKey: NETPAYPKDBOTQQ-UHFFFAOYSA-N
• XLogP: 2.57
• TPSA: 77.05 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.35
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone?

The IUPAC name of 1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone (CID 136528346) is 1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone.

What is the SMILES notation for 1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone?

The canonical SMILES for 1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone is O=C(Cn1ccc(C(F)(F)F)n1)N1CCCC(c2noc(C3CC3)n2)C1.

What is the InChIKey of 1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone?

The InChIKey is NETPAYPKDBOTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N5O2/c17-16(18,19)12-5-7-24(21-12)9-13(25)23-6-1-2-11(8-23)14-20-15(26-22-14)10-3-4-10/h5,7,10-11H,1-4,6,8-9H2.

What are the key properties of 1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone?

1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone has a molecular weight of 369.35 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone is sourced from PubChem (CID 136528346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).