1-[(3S)-3-hydroxypiperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone

C11H14F3N3O2 — CID 107224494

IUPAC1-[(3S)-3-hydroxypiperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
SMILESO=C(Cn1ccc(C(F)(F)F)n1)N1CCC[C@H](O)C1
InChIInChI=1S/C11H14F3N3O2/c12-11(13,14)9-3-5-17(15-9)7-10(19)16-4-1-2-8(18)6-16/h3,5,8,18H,1-2,4,6-7H2/t8-/m0/s1
InChIKeyBFVNJHDJHLHQQA-QMMMGPOBSA-N
MW277.25 g/mol
LogP0.89
Rot. Bonds2

About 1-[(3S)-3-hydroxypiperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone

1-[(3S)-3-hydroxypiperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone (PubChem CID 107224494) has the molecular formula C11H14F3N3O2 and a molecular weight of 277.25 g/mol. Its IUPAC name is 1-[(3S)-3-hydroxypiperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3S)-3-hydroxypiperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
PubChem CID107224494
Molecular FormulaC11H14F3N3O2
Molecular Weight277.25 g/mol
Exact Mass277.10
IUPAC Name1-[(3S)-3-hydroxypiperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
SMILESO=C(Cn1ccc(C(F)(F)F)n1)N1CCC[C@H](O)C1
InChIInChI=1S/C11H14F3N3O2/c12-11(13,14)9-3-5-17(15-9)7-10(19)16-4-1-2-8(18)6-16/h3,5,8,18H,1-2,4,6-7H2/t8-/m0/s1
InChIKeyBFVNJHDJHLHQQA-QMMMGPOBSA-N
XLogP0.89
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-hydroxypiperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone?
The IUPAC name of 1-[(3S)-3-hydroxypiperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone (CID 107224494) is 1-[(3S)-3-hydroxypiperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone.
What is the SMILES notation for 1-[(3S)-3-hydroxypiperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone?
The canonical SMILES for 1-[(3S)-3-hydroxypiperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone is O=C(Cn1ccc(C(F)(F)F)n1)N1CCC[C@H](O)C1.
What is the InChIKey of 1-[(3S)-3-hydroxypiperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone?
The InChIKey is BFVNJHDJHLHQQA-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H14F3N3O2/c12-11(13,14)9-3-5-17(15-9)7-10(19)16-4-1-2-8(18)6-16/h3,5,8,18H,1-2,4,6-7H2/t8-/m0/s1.
What are the key properties of 1-[(3S)-3-hydroxypiperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone?
1-[(3S)-3-hydroxypiperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone has a molecular weight of 277.25 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-hydroxypiperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone is sourced from PubChem (CID 107224494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).