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

C16H24F3N3O2 — CID 118166965

IUPAC3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[1-(2-methylpropyl)pyrazol-3-yl]piperidin-1-yl]propan-1-one
SMILESCC(C)Cn1ccc(C2CCN(C(=O)C(C)(O)C(F)(F)F)CC2)n1
InChIInChI=1S/C16H24F3N3O2/c1-11(2)10-22-9-6-13(20-22)12-4-7-21(8-5-12)14(23)15(3,24)16(17,18)19/h6,9,11-12,24H,4-5,7-8,10H2,1-3H3
InChIKeyLHJZPTLDHZSLOH-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.56
Rot. Bonds4

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

3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[1-(2-methylpropyl)pyrazol-3-yl]piperidin-1-yl]propan-1-one (PubChem CID 118166965) has the molecular formula C16H24F3N3O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[1-(2-methylpropyl)pyrazol-3-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[1-(2-methylpropyl)pyrazol-3-yl]piperidin-1-yl]propan-1-one
PubChem CID118166965
Molecular FormulaC16H24F3N3O2
Molecular Weight347.38 g/mol
Exact Mass347.18
IUPAC Name3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[1-(2-methylpropyl)pyrazol-3-yl]piperidin-1-yl]propan-1-one
SMILESCC(C)Cn1ccc(C2CCN(C(=O)C(C)(O)C(F)(F)F)CC2)n1
InChIInChI=1S/C16H24F3N3O2/c1-11(2)10-22-9-6-13(20-22)12-4-7-21(8-5-12)14(23)15(3,24)16(17,18)19/h6,9,11-12,24H,4-5,7-8,10H2,1-3H3
InChIKeyLHJZPTLDHZSLOH-UHFFFAOYSA-N
XLogP2.56
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[1-(2-methylpropyl)pyrazol-3-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of 3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[1-(2-methylpropyl)pyrazol-3-yl]piperidin-1-yl]propan-1-one (CID 118166965) is 3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[1-(2-methylpropyl)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-[1-(2-methylpropyl)pyrazol-3-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[1-(2-methylpropyl)pyrazol-3-yl]piperidin-1-yl]propan-1-one is CC(C)Cn1ccc(C2CCN(C(=O)C(C)(O)C(F)(F)F)CC2)n1.
What is the InChIKey of 3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[1-(2-methylpropyl)pyrazol-3-yl]piperidin-1-yl]propan-1-one?
The InChIKey is LHJZPTLDHZSLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3N3O2/c1-11(2)10-22-9-6-13(20-22)12-4-7-21(8-5-12)14(23)15(3,24)16(17,18)19/h6,9,11-12,24H,4-5,7-8,10H2,1-3H3.
What are the key properties of 3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[1-(2-methylpropyl)pyrazol-3-yl]piperidin-1-yl]propan-1-one?
3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[1-(2-methylpropyl)pyrazol-3-yl]piperidin-1-yl]propan-1-one has a molecular weight of 347.38 g/mol, XLogP of 2.56, 4 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-[1-(2-methylpropyl)pyrazol-3-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 118166965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).