2,2,2-trifluoro-1-[4-[1-(2-methylpropyl)pyrazol-3-yl]piperidin-1-yl]ethanone

C14H20F3N3O — CID 130387987

IUPAC2,2,2-trifluoro-1-[4-[1-(2-methylpropyl)pyrazol-3-yl]piperidin-1-yl]ethanone
SMILESCC(C)Cn1ccc(C2CCN(C(=O)C(F)(F)F)CC2)n1
InChIInChI=1S/C14H20F3N3O/c1-10(2)9-20-8-5-12(18-20)11-3-6-19(7-4-11)13(21)14(15,16)17/h5,8,10-11H,3-4,6-7,9H2,1-2H3
InChIKeyVEDUSYHOUUIPSG-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.81
Rot. Bonds3

About 2,2,2-trifluoro-1-[4-[1-(2-methylpropyl)pyrazol-3-yl]piperidin-1-yl]ethanone

2,2,2-trifluoro-1-[4-[1-(2-methylpropyl)pyrazol-3-yl]piperidin-1-yl]ethanone (PubChem CID 130387987) has the molecular formula C14H20F3N3O and a molecular weight of 303.33 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[4-[1-(2-methylpropyl)pyrazol-3-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[4-[1-(2-methylpropyl)pyrazol-3-yl]piperidin-1-yl]ethanone
PubChem CID130387987
Molecular FormulaC14H20F3N3O
Molecular Weight303.33 g/mol
Exact Mass303.16
IUPAC Name2,2,2-trifluoro-1-[4-[1-(2-methylpropyl)pyrazol-3-yl]piperidin-1-yl]ethanone
SMILESCC(C)Cn1ccc(C2CCN(C(=O)C(F)(F)F)CC2)n1
InChIInChI=1S/C14H20F3N3O/c1-10(2)9-20-8-5-12(18-20)11-3-6-19(7-4-11)13(21)14(15,16)17/h5,8,10-11H,3-4,6-7,9H2,1-2H3
InChIKeyVEDUSYHOUUIPSG-UHFFFAOYSA-N
XLogP2.81
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[4-[1-(2-methylpropyl)pyrazol-3-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[4-[1-(2-methylpropyl)pyrazol-3-yl]piperidin-1-yl]ethanone (CID 130387987) is 2,2,2-trifluoro-1-[4-[1-(2-methylpropyl)pyrazol-3-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[4-[1-(2-methylpropyl)pyrazol-3-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[4-[1-(2-methylpropyl)pyrazol-3-yl]piperidin-1-yl]ethanone is CC(C)Cn1ccc(C2CCN(C(=O)C(F)(F)F)CC2)n1.
What is the InChIKey of 2,2,2-trifluoro-1-[4-[1-(2-methylpropyl)pyrazol-3-yl]piperidin-1-yl]ethanone?
The InChIKey is VEDUSYHOUUIPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O/c1-10(2)9-20-8-5-12(18-20)11-3-6-19(7-4-11)13(21)14(15,16)17/h5,8,10-11H,3-4,6-7,9H2,1-2H3.
What are the key properties of 2,2,2-trifluoro-1-[4-[1-(2-methylpropyl)pyrazol-3-yl]piperidin-1-yl]ethanone?
2,2,2-trifluoro-1-[4-[1-(2-methylpropyl)pyrazol-3-yl]piperidin-1-yl]ethanone has a molecular weight of 303.33 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[4-[1-(2-methylpropyl)pyrazol-3-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 130387987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).