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

C15H16F3N3O2 — CID 167974307

IUPAC2-(furan-3-yl)-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
SMILESO=C(Cc1ccoc1)N1CCCC(c2cc(C(F)(F)F)n[nH]2)C1
InChIInChI=1S/C15H16F3N3O2/c16-15(17,18)13-7-12(19-20-13)11-2-1-4-21(8-11)14(22)6-10-3-5-23-9-10/h3,5,7,9,11H,1-2,4,6,8H2,(H,19,20)
InChIKeyLQSHBRLKLNIRAJ-UHFFFAOYSA-N
MW327.31 g/mol
LogP2.97
Rot. Bonds3

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

2-(furan-3-yl)-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone (PubChem CID 167974307) has the molecular formula C15H16F3N3O2 and a molecular weight of 327.31 g/mol. Its IUPAC name is 2-(furan-3-yl)-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(furan-3-yl)-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
PubChem CID167974307
Molecular FormulaC15H16F3N3O2
Molecular Weight327.31 g/mol
Exact Mass327.12
IUPAC Name2-(furan-3-yl)-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
SMILESO=C(Cc1ccoc1)N1CCCC(c2cc(C(F)(F)F)n[nH]2)C1
InChIInChI=1S/C15H16F3N3O2/c16-15(17,18)13-7-12(19-20-13)11-2-1-4-21(8-11)14(22)6-10-3-5-23-9-10/h3,5,7,9,11H,1-2,4,6,8H2,(H,19,20)
InChIKeyLQSHBRLKLNIRAJ-UHFFFAOYSA-N
XLogP2.97
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylmethoxy)-1-[(3S)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 96514333
3-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]propanoic acid
CID 119138283
(3,5-dimethyl-1,2-oxazol-4-yl)-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 71926893
(5-ethyl-1,3-oxazol-4-yl)-[(3R)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 96514337
(4-pyrazol-1-ylpiperidin-4-yl)-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 120936316
1-(oxolan-3-ylmethyl)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine
CID 71927080
[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(furan-3-yl)methanone
CID 53185294
(2R)-1-pyrazol-1-yl-3-[(3R)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-2-ol
CID 100871677
6-[1-[2-(3-fluorophenyl)acetyl]piperidin-3-yl]-1H-pyrimidin-2-one
CID 110115116
2-hydroxy-1-[(3R)-3-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 124950305
1-[[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-7-azabicyclo[2.2.1]heptane
CID 136572266
2-phenyl-1-[(3S)-3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone
CID 95111045

Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-yl)-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(furan-3-yl)-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone (CID 167974307) is 2-(furan-3-yl)-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(furan-3-yl)-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(furan-3-yl)-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone is O=C(Cc1ccoc1)N1CCCC(c2cc(C(F)(F)F)n[nH]2)C1.
What is the InChIKey of 2-(furan-3-yl)-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone?
The InChIKey is LQSHBRLKLNIRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O2/c16-15(17,18)13-7-12(19-20-13)11-2-1-4-21(8-11)14(22)6-10-3-5-23-9-10/h3,5,7,9,11H,1-2,4,6,8H2,(H,19,20).
What are the key properties of 2-(furan-3-yl)-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone?
2-(furan-3-yl)-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone has a molecular weight of 327.31 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-yl)-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 167974307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).