1-[(2R)-2-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]ethanone

C18H20F3N3O3 — CID 125002810

About 1-[(2R)-2-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]ethanone

1-[(2R)-2-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]ethanone (PubChem CID 125002810) has the molecular formula C18H20F3N3O3 and a molecular weight of 383.37 g/mol. Its IUPAC name is 1-[(2R)-2-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]ethanone.

Molecular Properties

• Compound Name: 1-[(2R)-2-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]ethanone
• PubChem CID: 125002810
• Molecular Formula: C18H20F3N3O3
• Molecular Weight: 383.37 g/mol
• Exact Mass: 383.15
• IUPAC Name: 1-[(2R)-2-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]ethanone
• SMILES: CC(=O)N1CCO[C@@H](c2cc(CCOc3cccc(C(F)(F)F)c3)[nH]n2)C1
• InChI: InChI=1S/C18H20F3N3O3/c1-12(25)24-6-8-27-17(11-24)16-10-14(22-23-16)5-7-26-15-4-2-3-13(9-15)18(19,20)21/h2-4,9-10,17H,5-8,11H2,1H3,(H,22,23)/t17-/m1/s1
• InChIKey: SNCDARQYUSQTBG-QGZVFWFLSA-N
• XLogP: 2.97
• TPSA: 67.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.37
LogP ≤ 5	2.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]ethanone?

The IUPAC name of 1-[(2R)-2-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]ethanone (CID 125002810) is 1-[(2R)-2-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]ethanone.

What is the SMILES notation for 1-[(2R)-2-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]ethanone?

The canonical SMILES for 1-[(2R)-2-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]ethanone is CC(=O)N1CCO[C@@H](c2cc(CCOc3cccc(C(F)(F)F)c3)[nH]n2)C1.

What is the InChIKey of 1-[(2R)-2-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]ethanone?

The InChIKey is SNCDARQYUSQTBG-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H20F3N3O3/c1-12(25)24-6-8-27-17(11-24)16-10-14(22-23-16)5-7-26-15-4-2-3-13(9-15)18(19,20)21/h2-4,9-10,17H,5-8,11H2,1H3,(H,22,23)/t17-/m1/s1.

What are the key properties of 1-[(2R)-2-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]ethanone?

1-[(2R)-2-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]ethanone has a molecular weight of 383.37 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R)-2-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]ethanone is sourced from PubChem (CID 125002810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).