1-[4-[2-[5-ethyl-4-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperidin-1-yl]ethanone

C16H24F3N3O — CID 134331583

IUPAC1-[4-[2-[5-ethyl-4-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperidin-1-yl]ethanone
SMILESCCc1c(C)c(C(F)(F)F)nn1CCC1CCN(C(C)=O)CC1
InChIInChI=1S/C16H24F3N3O/c1-4-14-11(2)15(16(17,18)19)20-22(14)10-7-13-5-8-21(9-6-13)12(3)23/h13H,4-10H2,1-3H3
InChIKeyNBFFJRTUVCNKPP-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.42
Rot. Bonds4

About 1-[4-[2-[5-ethyl-4-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperidin-1-yl]ethanone

1-[4-[2-[5-ethyl-4-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperidin-1-yl]ethanone (PubChem CID 134331583) has the molecular formula C16H24F3N3O and a molecular weight of 331.38 g/mol. Its IUPAC name is 1-[4-[2-[5-ethyl-4-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-[5-ethyl-4-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperidin-1-yl]ethanone
PubChem CID134331583
Molecular FormulaC16H24F3N3O
Molecular Weight331.38 g/mol
Exact Mass331.19
IUPAC Name1-[4-[2-[5-ethyl-4-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperidin-1-yl]ethanone
SMILESCCc1c(C)c(C(F)(F)F)nn1CCC1CCN(C(C)=O)CC1
InChIInChI=1S/C16H24F3N3O/c1-4-14-11(2)15(16(17,18)19)20-22(14)10-7-13-5-8-21(9-6-13)12(3)23/h13H,4-10H2,1-3H3
InChIKeyNBFFJRTUVCNKPP-UHFFFAOYSA-N
XLogP3.42
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[5-ethyl-4-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-[5-ethyl-4-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperidin-1-yl]ethanone (CID 134331583) is 1-[4-[2-[5-ethyl-4-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-[5-ethyl-4-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-[5-ethyl-4-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperidin-1-yl]ethanone is CCc1c(C)c(C(F)(F)F)nn1CCC1CCN(C(C)=O)CC1.
What is the InChIKey of 1-[4-[2-[5-ethyl-4-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperidin-1-yl]ethanone?
The InChIKey is NBFFJRTUVCNKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3N3O/c1-4-14-11(2)15(16(17,18)19)20-22(14)10-7-13-5-8-21(9-6-13)12(3)23/h13H,4-10H2,1-3H3.
What are the key properties of 1-[4-[2-[5-ethyl-4-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperidin-1-yl]ethanone?
1-[4-[2-[5-ethyl-4-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperidin-1-yl]ethanone has a molecular weight of 331.38 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[5-ethyl-4-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 134331583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).