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

C15H22F3N3O3 — CID 118166981

IUPAC(2R)-3,3,3-trifluoro-2-hydroxy-1-[4-[2-(2-methoxyethyl)pyrazol-3-yl]piperidin-1-yl]-2-methylpropan-1-one
SMILESCOCCn1nccc1C1CCN(C(=O)[C@@](C)(O)C(F)(F)F)CC1
InChIInChI=1S/C15H22F3N3O3/c1-14(23,15(16,17)18)13(22)20-7-4-11(5-8-20)12-3-6-19-21(12)9-10-24-2/h3,6,11,23H,4-5,7-10H2,1-2H3/t14-/m1/s1
InChIKeyQVNZBWOHYROLOI-CQSZACIVSA-N
MW349.35 g/mol
LogP1.55
Rot. Bonds5

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

(2R)-3,3,3-trifluoro-2-hydroxy-1-[4-[2-(2-methoxyethyl)pyrazol-3-yl]piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 118166981) has the molecular formula C15H22F3N3O3 and a molecular weight of 349.35 g/mol. Its IUPAC name is (2R)-3,3,3-trifluoro-2-hydroxy-1-[4-[2-(2-methoxyethyl)pyrazol-3-yl]piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name(2R)-3,3,3-trifluoro-2-hydroxy-1-[4-[2-(2-methoxyethyl)pyrazol-3-yl]piperidin-1-yl]-2-methylpropan-1-one
PubChem CID118166981
Molecular FormulaC15H22F3N3O3
Molecular Weight349.35 g/mol
Exact Mass349.16
IUPAC Name(2R)-3,3,3-trifluoro-2-hydroxy-1-[4-[2-(2-methoxyethyl)pyrazol-3-yl]piperidin-1-yl]-2-methylpropan-1-one
SMILESCOCCn1nccc1C1CCN(C(=O)[C@@](C)(O)C(F)(F)F)CC1
InChIInChI=1S/C15H22F3N3O3/c1-14(23,15(16,17)18)13(22)20-7-4-11(5-8-20)12-3-6-19-21(12)9-10-24-2/h3,6,11,23H,4-5,7-10H2,1-2H3/t14-/m1/s1
InChIKeyQVNZBWOHYROLOI-CQSZACIVSA-N
XLogP1.55
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-3,3,3-trifluoro-2-hydroxy-1-[4-[2-(2-methoxyethyl)pyrazol-3-yl]piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of (2R)-3,3,3-trifluoro-2-hydroxy-1-[4-[2-(2-methoxyethyl)pyrazol-3-yl]piperidin-1-yl]-2-methylpropan-1-one (CID 118166981) is (2R)-3,3,3-trifluoro-2-hydroxy-1-[4-[2-(2-methoxyethyl)pyrazol-3-yl]piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for (2R)-3,3,3-trifluoro-2-hydroxy-1-[4-[2-(2-methoxyethyl)pyrazol-3-yl]piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for (2R)-3,3,3-trifluoro-2-hydroxy-1-[4-[2-(2-methoxyethyl)pyrazol-3-yl]piperidin-1-yl]-2-methylpropan-1-one is COCCn1nccc1C1CCN(C(=O)[C@@](C)(O)C(F)(F)F)CC1.
What is the InChIKey of (2R)-3,3,3-trifluoro-2-hydroxy-1-[4-[2-(2-methoxyethyl)pyrazol-3-yl]piperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is QVNZBWOHYROLOI-CQSZACIVSA-N. The full InChI is InChI=1S/C15H22F3N3O3/c1-14(23,15(16,17)18)13(22)20-7-4-11(5-8-20)12-3-6-19-21(12)9-10-24-2/h3,6,11,23H,4-5,7-10H2,1-2H3/t14-/m1/s1.
What are the key properties of (2R)-3,3,3-trifluoro-2-hydroxy-1-[4-[2-(2-methoxyethyl)pyrazol-3-yl]piperidin-1-yl]-2-methylpropan-1-one?
(2R)-3,3,3-trifluoro-2-hydroxy-1-[4-[2-(2-methoxyethyl)pyrazol-3-yl]piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 349.35 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3,3,3-trifluoro-2-hydroxy-1-[4-[2-(2-methoxyethyl)pyrazol-3-yl]piperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 118166981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).