pyridin-3-yl-[2-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methanone

C22H21F3N4O2 — CID 110267649

About pyridin-3-yl-[2-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methanone

pyridin-3-yl-[2-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methanone (PubChem CID 110267649) has the molecular formula C22H21F3N4O2 and a molecular weight of 430.43 g/mol. Its IUPAC name is pyridin-3-yl-[2-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: pyridin-3-yl-[2-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methanone
• PubChem CID: 110267649
• Molecular Formula: C22H21F3N4O2
• Molecular Weight: 430.43 g/mol
• Exact Mass: 430.16
• IUPAC Name: pyridin-3-yl-[2-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methanone
• SMILES: O=C(c1cccnc1)N1CCCC1c1cc(CCOc2cccc(C(F)(F)F)c2)[nH]n1
• InChI: InChI=1S/C22H21F3N4O2/c23-22(24,25)16-5-1-6-18(12-16)31-11-8-17-13-19(28-27-17)20-7-3-10-29(20)21(30)15-4-2-9-26-14-15/h1-2,4-6,9,12-14,20H,3,7-8,10-11H2,(H,27,28)
• InChIKey: NRMSHADXWPILPK-UHFFFAOYSA-N
• XLogP: 4.42
• TPSA: 71.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.43
LogP ≤ 5	4.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of pyridin-3-yl-[2-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methanone?

The IUPAC name of pyridin-3-yl-[2-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methanone (CID 110267649) is pyridin-3-yl-[2-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methanone.

What is the SMILES notation for pyridin-3-yl-[2-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methanone?

The canonical SMILES for pyridin-3-yl-[2-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methanone is O=C(c1cccnc1)N1CCCC1c1cc(CCOc2cccc(C(F)(F)F)c2)[nH]n1.

What is the InChIKey of pyridin-3-yl-[2-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methanone?

The InChIKey is NRMSHADXWPILPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N4O2/c23-22(24,25)16-5-1-6-18(12-16)31-11-8-17-13-19(28-27-17)20-7-3-10-29(20)21(30)15-4-2-9-26-14-15/h1-2,4-6,9,12-14,20H,3,7-8,10-11H2,(H,27,28).

What are the key properties of pyridin-3-yl-[2-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methanone?

pyridin-3-yl-[2-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methanone has a molecular weight of 430.43 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for pyridin-3-yl-[2-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 110267649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).