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

C18H19F4N3O2 — CID 118167184

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

3,3,3-trifluoro-1-[4-[2-(4-fluorophenyl)pyrazol-3-yl]piperidin-1-yl]-2-hydroxy-2-methylpropan-1-one (PubChem CID 118167184) has the molecular formula C18H19F4N3O2 and a molecular weight of 385.36 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-[4-[2-(4-fluorophenyl)pyrazol-3-yl]piperidin-1-yl]-2-hydroxy-2-methylpropan-1-one.

Molecular Properties

• Compound Name: 3,3,3-trifluoro-1-[4-[2-(4-fluorophenyl)pyrazol-3-yl]piperidin-1-yl]-2-hydroxy-2-methylpropan-1-one
• PubChem CID: 118167184
• Molecular Formula: C18H19F4N3O2
• Molecular Weight: 385.36 g/mol
• Exact Mass: 385.14
• IUPAC Name: 3,3,3-trifluoro-1-[4-[2-(4-fluorophenyl)pyrazol-3-yl]piperidin-1-yl]-2-hydroxy-2-methylpropan-1-one
• SMILES: CC(O)(C(=O)N1CCC(c2ccnn2-c2ccc(F)cc2)CC1)C(F)(F)F
• InChI: InChI=1S/C18H19F4N3O2/c1-17(27,18(20,21)22)16(26)24-10-7-12(8-11-24)15-6-9-23-25(15)14-4-2-13(19)3-5-14/h2-6,9,12,27H,7-8,10-11H2,1H3
• InChIKey: FRVJUONGAVGLRP-UHFFFAOYSA-N
• XLogP: 3.03
• TPSA: 58.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.36
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 3,3,3-trifluoro-1-[4-[2-(4-fluorophenyl)pyrazol-3-yl]piperidin-1-yl]-2-hydroxy-2-methylpropan-1-one (CID 118167184) is 3,3,3-trifluoro-1-[4-[2-(4-fluorophenyl)pyrazol-3-yl]piperidin-1-yl]-2-hydroxy-2-methylpropan-1-one.

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

The canonical SMILES for 3,3,3-trifluoro-1-[4-[2-(4-fluorophenyl)pyrazol-3-yl]piperidin-1-yl]-2-hydroxy-2-methylpropan-1-one is CC(O)(C(=O)N1CCC(c2ccnn2-c2ccc(F)cc2)CC1)C(F)(F)F.

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

The InChIKey is FRVJUONGAVGLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F4N3O2/c1-17(27,18(20,21)22)16(26)24-10-7-12(8-11-24)15-6-9-23-25(15)14-4-2-13(19)3-5-14/h2-6,9,12,27H,7-8,10-11H2,1H3.

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

3,3,3-trifluoro-1-[4-[2-(4-fluorophenyl)pyrazol-3-yl]piperidin-1-yl]-2-hydroxy-2-methylpropan-1-one has a molecular weight of 385.36 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3,3,3-trifluoro-1-[4-[2-(4-fluorophenyl)pyrazol-3-yl]piperidin-1-yl]-2-hydroxy-2-methylpropan-1-one is sourced from PubChem (CID 118167184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).