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

C15H22F3N3O2 — CID 118167100

IUPAC3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-(2-propan-2-ylpyrazol-3-yl)piperidin-1-yl]propan-1-one
SMILESCC(C)n1nccc1C1CCN(C(=O)C(C)(O)C(F)(F)F)CC1
InChIInChI=1S/C15H22F3N3O2/c1-10(2)21-12(4-7-19-21)11-5-8-20(9-6-11)13(22)14(3,23)15(16,17)18/h4,7,10-11,23H,5-6,8-9H2,1-3H3
InChIKeyLAFJIOPQHZRSKK-UHFFFAOYSA-N
MW333.35 g/mol
LogP2.48
Rot. Bonds3

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

3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-(2-propan-2-ylpyrazol-3-yl)piperidin-1-yl]propan-1-one (PubChem CID 118167100) has the molecular formula C15H22F3N3O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-(2-propan-2-ylpyrazol-3-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-(2-propan-2-ylpyrazol-3-yl)piperidin-1-yl]propan-1-one
PubChem CID118167100
Molecular FormulaC15H22F3N3O2
Molecular Weight333.35 g/mol
Exact Mass333.17
IUPAC Name3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-(2-propan-2-ylpyrazol-3-yl)piperidin-1-yl]propan-1-one
SMILESCC(C)n1nccc1C1CCN(C(=O)C(C)(O)C(F)(F)F)CC1
InChIInChI=1S/C15H22F3N3O2/c1-10(2)21-12(4-7-19-21)11-5-8-20(9-6-11)13(22)14(3,23)15(16,17)18/h4,7,10-11,23H,5-6,8-9H2,1-3H3
InChIKeyLAFJIOPQHZRSKK-UHFFFAOYSA-N
XLogP2.48
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-(2-propan-2-ylpyrazol-3-yl)piperidin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-(2-propan-2-ylpyrazol-3-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-(2-propan-2-ylpyrazol-3-yl)piperidin-1-yl]propan-1-one (CID 118167100) is 3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-(2-propan-2-ylpyrazol-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-propan-2-ylpyrazol-3-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-(2-propan-2-ylpyrazol-3-yl)piperidin-1-yl]propan-1-one is CC(C)n1nccc1C1CCN(C(=O)C(C)(O)C(F)(F)F)CC1.
What is the InChIKey of 3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-(2-propan-2-ylpyrazol-3-yl)piperidin-1-yl]propan-1-one?
The InChIKey is LAFJIOPQHZRSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3O2/c1-10(2)21-12(4-7-19-21)11-5-8-20(9-6-11)13(22)14(3,23)15(16,17)18/h4,7,10-11,23H,5-6,8-9H2,1-3H3.
What are the key properties of 3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-(2-propan-2-ylpyrazol-3-yl)piperidin-1-yl]propan-1-one?
3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-(2-propan-2-ylpyrazol-3-yl)piperidin-1-yl]propan-1-one has a molecular weight of 333.35 g/mol, XLogP of 2.48, 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-propan-2-ylpyrazol-3-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 118167100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).