4-[2-(3,3-difluorocyclopentyl)pyrazol-3-yl]-1-(oxetan-3-yl)piperidine

C16H23F2N3O — CID 141405167

IUPAC4-[2-(3,3-difluorocyclopentyl)pyrazol-3-yl]-1-(oxetan-3-yl)piperidine
SMILESFC1(F)CCC(n2nccc2C2CCN(C3COC3)CC2)C1
InChIInChI=1S/C16H23F2N3O/c17-16(18)5-1-13(9-16)21-15(2-6-19-21)12-3-7-20(8-4-12)14-10-22-11-14/h2,6,12-14H,1,3-5,7-11H2
InChIKeyPUPFIOKSDQOUIC-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.82
Rot. Bonds3

About 4-[2-(3,3-difluorocyclopentyl)pyrazol-3-yl]-1-(oxetan-3-yl)piperidine

4-[2-(3,3-difluorocyclopentyl)pyrazol-3-yl]-1-(oxetan-3-yl)piperidine (PubChem CID 141405167) has the molecular formula C16H23F2N3O and a molecular weight of 311.38 g/mol. Its IUPAC name is 4-[2-(3,3-difluorocyclopentyl)pyrazol-3-yl]-1-(oxetan-3-yl)piperidine.

Molecular Properties

Compound Name4-[2-(3,3-difluorocyclopentyl)pyrazol-3-yl]-1-(oxetan-3-yl)piperidine
PubChem CID141405167
Molecular FormulaC16H23F2N3O
Molecular Weight311.38 g/mol
Exact Mass311.18
IUPAC Name4-[2-(3,3-difluorocyclopentyl)pyrazol-3-yl]-1-(oxetan-3-yl)piperidine
SMILESFC1(F)CCC(n2nccc2C2CCN(C3COC3)CC2)C1
InChIInChI=1S/C16H23F2N3O/c17-16(18)5-1-13(9-16)21-15(2-6-19-21)12-3-7-20(8-4-12)14-10-22-11-14/h2,6,12-14H,1,3-5,7-11H2
InChIKeyPUPFIOKSDQOUIC-UHFFFAOYSA-N
XLogP2.82
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,3-difluorocyclopentyl)pyrazol-3-yl]-1-(oxetan-3-yl)piperidine?
The IUPAC name of 4-[2-(3,3-difluorocyclopentyl)pyrazol-3-yl]-1-(oxetan-3-yl)piperidine (CID 141405167) is 4-[2-(3,3-difluorocyclopentyl)pyrazol-3-yl]-1-(oxetan-3-yl)piperidine.
What is the SMILES notation for 4-[2-(3,3-difluorocyclopentyl)pyrazol-3-yl]-1-(oxetan-3-yl)piperidine?
The canonical SMILES for 4-[2-(3,3-difluorocyclopentyl)pyrazol-3-yl]-1-(oxetan-3-yl)piperidine is FC1(F)CCC(n2nccc2C2CCN(C3COC3)CC2)C1.
What is the InChIKey of 4-[2-(3,3-difluorocyclopentyl)pyrazol-3-yl]-1-(oxetan-3-yl)piperidine?
The InChIKey is PUPFIOKSDQOUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N3O/c17-16(18)5-1-13(9-16)21-15(2-6-19-21)12-3-7-20(8-4-12)14-10-22-11-14/h2,6,12-14H,1,3-5,7-11H2.
What are the key properties of 4-[2-(3,3-difluorocyclopentyl)pyrazol-3-yl]-1-(oxetan-3-yl)piperidine?
4-[2-(3,3-difluorocyclopentyl)pyrazol-3-yl]-1-(oxetan-3-yl)piperidine has a molecular weight of 311.38 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,3-difluorocyclopentyl)pyrazol-3-yl]-1-(oxetan-3-yl)piperidine is sourced from PubChem (CID 141405167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).