2-hydroxy-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone

C11H14F3N3O2 — CID 110269011

IUPAC2-hydroxy-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
SMILESO=C(CO)N1CCCC(c2cc(C(F)(F)F)n[nH]2)C1
InChIInChI=1S/C11H14F3N3O2/c12-11(13,14)9-4-8(15-16-9)7-2-1-3-17(5-7)10(19)6-18/h4,7,18H,1-3,5-6H2,(H,15,16)
InChIKeyQDFMNMJSAJHWEX-UHFFFAOYSA-N
MW277.25 g/mol
LogP1.13
Rot. Bonds2

About 2-hydroxy-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone

2-hydroxy-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone (PubChem CID 110269011) has the molecular formula C11H14F3N3O2 and a molecular weight of 277.25 g/mol. Its IUPAC name is 2-hydroxy-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-hydroxy-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
PubChem CID110269011
Molecular FormulaC11H14F3N3O2
Molecular Weight277.25 g/mol
Exact Mass277.10
IUPAC Name2-hydroxy-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
SMILESO=C(CO)N1CCCC(c2cc(C(F)(F)F)n[nH]2)C1
InChIInChI=1S/C11H14F3N3O2/c12-11(13,14)9-4-8(15-16-9)7-2-1-3-17(5-7)10(19)6-18/h4,7,18H,1-3,5-6H2,(H,15,16)
InChIKeyQDFMNMJSAJHWEX-UHFFFAOYSA-N
XLogP1.13
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-hydroxy-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone (CID 110269011) is 2-hydroxy-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-hydroxy-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-hydroxy-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone is O=C(CO)N1CCCC(c2cc(C(F)(F)F)n[nH]2)C1.
What is the InChIKey of 2-hydroxy-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone?
The InChIKey is QDFMNMJSAJHWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2/c12-11(13,14)9-4-8(15-16-9)7-2-1-3-17(5-7)10(19)6-18/h4,7,18H,1-3,5-6H2,(H,15,16).
What are the key properties of 2-hydroxy-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone?
2-hydroxy-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone has a molecular weight of 277.25 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 110269011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).