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

C11H14F3N3O — CID 60634648

IUPAC1-piperidin-1-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
SMILESO=C(Cn1ccc(C(F)(F)F)n1)N1CCCCC1
InChIInChI=1S/C11H14F3N3O/c12-11(13,14)9-4-7-17(15-9)8-10(18)16-5-2-1-3-6-16/h4,7H,1-3,5-6,8H2
InChIKeyOFLRAHMVZJBKKY-UHFFFAOYSA-N
MW261.25 g/mol
LogP1.91
Rot. Bonds2

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

1-piperidin-1-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone (PubChem CID 60634648) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is 1-piperidin-1-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone.

Molecular Properties

Compound Name1-piperidin-1-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
PubChem CID60634648
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC Name1-piperidin-1-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
SMILESO=C(Cn1ccc(C(F)(F)F)n1)N1CCCCC1
InChIInChI=1S/C11H14F3N3O/c12-11(13,14)9-4-7-17(15-9)8-10(18)16-5-2-1-3-6-16/h4,7H,1-3,5-6,8H2
InChIKeyOFLRAHMVZJBKKY-UHFFFAOYSA-N
XLogP1.91
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone?
The IUPAC name of 1-piperidin-1-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone (CID 60634648) is 1-piperidin-1-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone.
What is the SMILES notation for 1-piperidin-1-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone?
The canonical SMILES for 1-piperidin-1-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone is O=C(Cn1ccc(C(F)(F)F)n1)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone?
The InChIKey is OFLRAHMVZJBKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c12-11(13,14)9-4-7-17(15-9)8-10(18)16-5-2-1-3-6-16/h4,7H,1-3,5-6,8H2.
What are the key properties of 1-piperidin-1-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone?
1-piperidin-1-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone has a molecular weight of 261.25 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone is sourced from PubChem (CID 60634648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).