3,3,3-trifluoro-2-hydroxy-1-[4-[2-(4-methoxyphenyl)pyrazol-3-yl]piperidin-1-yl]-2-methylpropan-1-one

C19H22F3N3O3 — CID 118167076

About 3,3,3-trifluoro-2-hydroxy-1-[4-[2-(4-methoxyphenyl)pyrazol-3-yl]piperidin-1-yl]-2-methylpropan-1-one

3,3,3-trifluoro-2-hydroxy-1-[4-[2-(4-methoxyphenyl)pyrazol-3-yl]piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 118167076) has the molecular formula C19H22F3N3O3 and a molecular weight of 397.40 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-hydroxy-1-[4-[2-(4-methoxyphenyl)pyrazol-3-yl]piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

• Compound Name: 3,3,3-trifluoro-2-hydroxy-1-[4-[2-(4-methoxyphenyl)pyrazol-3-yl]piperidin-1-yl]-2-methylpropan-1-one
• PubChem CID: 118167076
• Molecular Formula: C19H22F3N3O3
• Molecular Weight: 397.40 g/mol
• Exact Mass: 397.16
• IUPAC Name: 3,3,3-trifluoro-2-hydroxy-1-[4-[2-(4-methoxyphenyl)pyrazol-3-yl]piperidin-1-yl]-2-methylpropan-1-one
• SMILES: COc1ccc(-n2nccc2C2CCN(C(=O)C(C)(O)C(F)(F)F)CC2)cc1
• InChI: InChI=1S/C19H22F3N3O3/c1-18(27,19(20,21)22)17(26)24-11-8-13(9-12-24)16-7-10-23-25(16)14-3-5-15(28-2)6-4-14/h3-7,10,13,27H,8-9,11-12H2,1-2H3
• InChIKey: WKFCRODMASGHNA-UHFFFAOYSA-N
• XLogP: 2.90
• TPSA: 67.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.40
LogP ≤ 5	2.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-hydroxy-1-[4-[2-(4-methoxyphenyl)pyrazol-3-yl]piperidin-1-yl]-2-methylpropan-1-one?

The IUPAC name of 3,3,3-trifluoro-2-hydroxy-1-[4-[2-(4-methoxyphenyl)pyrazol-3-yl]piperidin-1-yl]-2-methylpropan-1-one (CID 118167076) is 3,3,3-trifluoro-2-hydroxy-1-[4-[2-(4-methoxyphenyl)pyrazol-3-yl]piperidin-1-yl]-2-methylpropan-1-one.

What is the SMILES notation for 3,3,3-trifluoro-2-hydroxy-1-[4-[2-(4-methoxyphenyl)pyrazol-3-yl]piperidin-1-yl]-2-methylpropan-1-one?

The canonical SMILES for 3,3,3-trifluoro-2-hydroxy-1-[4-[2-(4-methoxyphenyl)pyrazol-3-yl]piperidin-1-yl]-2-methylpropan-1-one is COc1ccc(-n2nccc2C2CCN(C(=O)C(C)(O)C(F)(F)F)CC2)cc1.

What is the InChIKey of 3,3,3-trifluoro-2-hydroxy-1-[4-[2-(4-methoxyphenyl)pyrazol-3-yl]piperidin-1-yl]-2-methylpropan-1-one?

The InChIKey is WKFCRODMASGHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O3/c1-18(27,19(20,21)22)17(26)24-11-8-13(9-12-24)16-7-10-23-25(16)14-3-5-15(28-2)6-4-14/h3-7,10,13,27H,8-9,11-12H2,1-2H3.

What are the key properties of 3,3,3-trifluoro-2-hydroxy-1-[4-[2-(4-methoxyphenyl)pyrazol-3-yl]piperidin-1-yl]-2-methylpropan-1-one?

3,3,3-trifluoro-2-hydroxy-1-[4-[2-(4-methoxyphenyl)pyrazol-3-yl]piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 397.40 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3,3,3-trifluoro-2-hydroxy-1-[4-[2-(4-methoxyphenyl)pyrazol-3-yl]piperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 118167076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).