2-[1-(4-fluorophenyl)pyrazol-3-yl]-1-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone

C20H19F4N5O — CID 146088301

About 2-[1-(4-fluorophenyl)pyrazol-3-yl]-1-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone

2-[1-(4-fluorophenyl)pyrazol-3-yl]-1-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone (PubChem CID 146088301) has the molecular formula C20H19F4N5O and a molecular weight of 421.40 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)pyrazol-3-yl]-1-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-[1-(4-fluorophenyl)pyrazol-3-yl]-1-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone
• PubChem CID: 146088301
• Molecular Formula: C20H19F4N5O
• Molecular Weight: 421.40 g/mol
• Exact Mass: 421.15
• IUPAC Name: 2-[1-(4-fluorophenyl)pyrazol-3-yl]-1-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone
• SMILES: O=C(Cc1ccn(-c2ccc(F)cc2)n1)N1CCCC(n2ccc(C(F)(F)F)n2)C1
• InChI: InChI=1S/C20H19F4N5O/c21-14-3-5-16(6-4-14)28-10-7-15(25-28)12-19(30)27-9-1-2-17(13-27)29-11-8-18(26-29)20(22,23)24/h3-8,10-11,17H,1-2,9,12-13H2
• InChIKey: ZMCZADPDRGBDHF-UHFFFAOYSA-N
• XLogP: 3.63
• TPSA: 55.95 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.40
LogP ≤ 5	3.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[1-(4-fluorophenyl)pyrazol-3-yl]-1-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone (CID 146088301) is 2-[1-(4-fluorophenyl)pyrazol-3-yl]-1-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone.

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

The canonical SMILES for 2-[1-(4-fluorophenyl)pyrazol-3-yl]-1-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone is O=C(Cc1ccn(-c2ccc(F)cc2)n1)N1CCCC(n2ccc(C(F)(F)F)n2)C1.

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

The InChIKey is ZMCZADPDRGBDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F4N5O/c21-14-3-5-16(6-4-14)28-10-7-15(25-28)12-19(30)27-9-1-2-17(13-27)29-11-8-18(26-29)20(22,23)24/h3-8,10-11,17H,1-2,9,12-13H2.

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

2-[1-(4-fluorophenyl)pyrazol-3-yl]-1-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone has a molecular weight of 421.40 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(4-fluorophenyl)pyrazol-3-yl]-1-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 146088301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).