[2-[1-(2-methoxyethyl)-4-methylpyrazol-5-yl]piperidin-1-yl] 2,2,2-trifluoroacetate

C14H20F3N3O3 — CID 178181985

IUPAC[2-[1-(2-methoxyethyl)-4-methylpyrazol-5-yl]piperidin-1-yl] 2,2,2-trifluoroacetate
SMILESCOCCn1ncc(C)c1C1CCCCN1OC(=O)C(F)(F)F
InChIInChI=1S/C14H20F3N3O3/c1-10-9-18-19(7-8-22-2)12(10)11-5-3-4-6-20(11)23-13(21)14(15,16)17/h9,11H,3-8H2,1-2H3
InChIKeyHFLWAWLZEIFTLP-UHFFFAOYSA-N
MW335.33 g/mol
LogP2.39
Rot. Bonds5

About [2-[1-(2-methoxyethyl)-4-methylpyrazol-5-yl]piperidin-1-yl] 2,2,2-trifluoroacetate

[2-[1-(2-methoxyethyl)-4-methylpyrazol-5-yl]piperidin-1-yl] 2,2,2-trifluoroacetate (PubChem CID 178181985) has the molecular formula C14H20F3N3O3 and a molecular weight of 335.33 g/mol. Its IUPAC name is [2-[1-(2-methoxyethyl)-4-methylpyrazol-5-yl]piperidin-1-yl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[2-[1-(2-methoxyethyl)-4-methylpyrazol-5-yl]piperidin-1-yl] 2,2,2-trifluoroacetate
PubChem CID178181985
Molecular FormulaC14H20F3N3O3
Molecular Weight335.33 g/mol
Exact Mass335.15
IUPAC Name[2-[1-(2-methoxyethyl)-4-methylpyrazol-5-yl]piperidin-1-yl] 2,2,2-trifluoroacetate
SMILESCOCCn1ncc(C)c1C1CCCCN1OC(=O)C(F)(F)F
InChIInChI=1S/C14H20F3N3O3/c1-10-9-18-19(7-8-22-2)12(10)11-5-3-4-6-20(11)23-13(21)14(15,16)17/h9,11H,3-8H2,1-2H3
InChIKeyHFLWAWLZEIFTLP-UHFFFAOYSA-N
XLogP2.39
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[1-(2-methoxyethyl)-4-methylpyrazol-5-yl]piperidin-1-yl] 2,2,2-trifluoroacetate?
The IUPAC name of [2-[1-(2-methoxyethyl)-4-methylpyrazol-5-yl]piperidin-1-yl] 2,2,2-trifluoroacetate (CID 178181985) is [2-[1-(2-methoxyethyl)-4-methylpyrazol-5-yl]piperidin-1-yl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [2-[1-(2-methoxyethyl)-4-methylpyrazol-5-yl]piperidin-1-yl] 2,2,2-trifluoroacetate?
The canonical SMILES for [2-[1-(2-methoxyethyl)-4-methylpyrazol-5-yl]piperidin-1-yl] 2,2,2-trifluoroacetate is COCCn1ncc(C)c1C1CCCCN1OC(=O)C(F)(F)F.
What is the InChIKey of [2-[1-(2-methoxyethyl)-4-methylpyrazol-5-yl]piperidin-1-yl] 2,2,2-trifluoroacetate?
The InChIKey is HFLWAWLZEIFTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O3/c1-10-9-18-19(7-8-22-2)12(10)11-5-3-4-6-20(11)23-13(21)14(15,16)17/h9,11H,3-8H2,1-2H3.
What are the key properties of [2-[1-(2-methoxyethyl)-4-methylpyrazol-5-yl]piperidin-1-yl] 2,2,2-trifluoroacetate?
[2-[1-(2-methoxyethyl)-4-methylpyrazol-5-yl]piperidin-1-yl] 2,2,2-trifluoroacetate has a molecular weight of 335.33 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(2-methoxyethyl)-4-methylpyrazol-5-yl]piperidin-1-yl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 178181985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).