3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]piperidin-1-yl]propan-1-one

C19H19F6N3O2 — CID 118166849

About 3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]piperidin-1-yl]propan-1-one

3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]piperidin-1-yl]propan-1-one (PubChem CID 118166849) has the molecular formula C19H19F6N3O2 and a molecular weight of 435.37 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]piperidin-1-yl]propan-1-one
• PubChem CID: 118166849
• Molecular Formula: C19H19F6N3O2
• Molecular Weight: 435.37 g/mol
• Exact Mass: 435.14
• IUPAC Name: 3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]piperidin-1-yl]propan-1-one
• SMILES: CC(O)(C(=O)N1CCC(c2ccnn2-c2ccc(C(F)(F)F)cc2)CC1)C(F)(F)F
• InChI: InChI=1S/C19H19F6N3O2/c1-17(30,19(23,24)25)16(29)27-10-7-12(8-11-27)15-6-9-26-28(15)14-4-2-13(3-5-14)18(20,21)22/h2-6,9,12,30H,7-8,10-11H2,1H3
• InChIKey: DDYFGQDNLUBWGJ-UHFFFAOYSA-N
• XLogP: 3.91
• TPSA: 58.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.37
LogP ≤ 5	3.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]piperidin-1-yl]propan-1-one?

The IUPAC name of 3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]piperidin-1-yl]propan-1-one (CID 118166849) is 3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]piperidin-1-yl]propan-1-one.

What is the SMILES notation for 3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]piperidin-1-yl]propan-1-one?

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

What is the InChIKey of 3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]piperidin-1-yl]propan-1-one?

The InChIKey is DDYFGQDNLUBWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F6N3O2/c1-17(30,19(23,24)25)16(29)27-10-7-12(8-11-27)15-6-9-26-28(15)14-4-2-13(3-5-14)18(20,21)22/h2-6,9,12,30H,7-8,10-11H2,1H3.

What are the key properties of 3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]piperidin-1-yl]propan-1-one?

3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]piperidin-1-yl]propan-1-one has a molecular weight of 435.37 g/mol, XLogP of 3.91, 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-2-hydroxy-2-methyl-1-[4-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 118166849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).