3-(furan-2-yl)-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one

C16H18F3N3O2 — CID 136521345

IUPAC3-(furan-2-yl)-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one
SMILESO=C(CCc1ccco1)N1CCC(n2ccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C16H18F3N3O2/c17-16(18,19)14-7-10-22(20-14)12-5-8-21(9-6-12)15(23)4-3-13-2-1-11-24-13/h1-2,7,10-12H,3-6,8-9H2
InChIKeyLGYQECZLOQTTBB-UHFFFAOYSA-N
MW341.33 g/mol
LogP3.29
Rot. Bonds4

About 3-(furan-2-yl)-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one

3-(furan-2-yl)-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one (PubChem CID 136521345) has the molecular formula C16H18F3N3O2 and a molecular weight of 341.33 g/mol. Its IUPAC name is 3-(furan-2-yl)-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(furan-2-yl)-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one
PubChem CID136521345
Molecular FormulaC16H18F3N3O2
Molecular Weight341.33 g/mol
Exact Mass341.14
IUPAC Name3-(furan-2-yl)-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one
SMILESO=C(CCc1ccco1)N1CCC(n2ccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C16H18F3N3O2/c17-16(18,19)14-7-10-22(20-14)12-5-8-21(9-6-12)15(23)4-3-13-2-1-11-24-13/h1-2,7,10-12H,3-6,8-9H2
InChIKeyLGYQECZLOQTTBB-UHFFFAOYSA-N
XLogP3.29
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.33
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[1-[3-(furan-2-yl)propanoyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 128968158
2-(methylamino)-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone
CID 120705849
2-[cyclopropyl(ethyl)amino]-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone
CID 86783988
3-(furan-2-yl)-1-[4-(methylamino)piperidin-1-yl]propan-1-one
CID 54923480
2-(1-phenylpyrazol-4-yl)-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone
CID 166203581
(4-cyclopropyl-1,3-oxazol-5-yl)-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone
CID 126815509
[5-(hydroxymethyl)-3-methylfuran-2-yl]-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone
CID 126797647
1-[3-(aminomethyl)pyrrolidin-1-yl]-3-(furan-2-yl)propan-1-one
CID 62062665
1-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-3-(furan-2-yl)propan-1-one
CID 86896760
1-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-3-(furan-2-yl)propan-1-one
CID 24517548
1-(3-ethyl-4-hydroxypiperidin-1-yl)-3-(furan-2-yl)propan-1-one
CID 114509981
1-[(3R)-3-(furan-2-ylmethylsulfonyl)pyrrolidin-1-yl]-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 99873503

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(furan-2-yl)-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one (CID 136521345) is 3-(furan-2-yl)-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(furan-2-yl)-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(furan-2-yl)-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one is O=C(CCc1ccco1)N1CCC(n2ccc(C(F)(F)F)n2)CC1.
What is the InChIKey of 3-(furan-2-yl)-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one?
The InChIKey is LGYQECZLOQTTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O2/c17-16(18,19)14-7-10-22(20-14)12-5-8-21(9-6-12)15(23)4-3-13-2-1-11-24-13/h1-2,7,10-12H,3-6,8-9H2.
What are the key properties of 3-(furan-2-yl)-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one?
3-(furan-2-yl)-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one has a molecular weight of 341.33 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 136521345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).