4-[2-(3,3-difluorocyclopentyl)-5-methylpyrazol-3-yl]-1-(oxetan-3-yl)piperidine;ethane

C19H31F2N3O — CID 144669810

IUPAC4-[2-(3,3-difluorocyclopentyl)-5-methylpyrazol-3-yl]-1-(oxetan-3-yl)piperidine;ethane
SMILESCC.Cc1cc(C2CCN(C3COC3)CC2)n(C2CCC(F)(F)C2)n1
InChIInChI=1S/C17H25F2N3O.C2H6/c1-12-8-16(22(20-12)14-2-5-17(18,19)9-14)13-3-6-21(7-4-13)15-10-23-11-15;1-2/h8,13-15H,2-7,9-11H2,1H3;1-2H3
InChIKeyGKXMYEGWVHMXOF-UHFFFAOYSA-N
MW355.47 g/mol
LogP4.16
Rot. Bonds3

About 4-[2-(3,3-difluorocyclopentyl)-5-methylpyrazol-3-yl]-1-(oxetan-3-yl)piperidine;ethane

4-[2-(3,3-difluorocyclopentyl)-5-methylpyrazol-3-yl]-1-(oxetan-3-yl)piperidine;ethane (PubChem CID 144669810) has the molecular formula C19H31F2N3O and a molecular weight of 355.47 g/mol. Its IUPAC name is 4-[2-(3,3-difluorocyclopentyl)-5-methylpyrazol-3-yl]-1-(oxetan-3-yl)piperidine;ethane.

Molecular Properties

Compound Name4-[2-(3,3-difluorocyclopentyl)-5-methylpyrazol-3-yl]-1-(oxetan-3-yl)piperidine;ethane
PubChem CID144669810
Molecular FormulaC19H31F2N3O
Molecular Weight355.47 g/mol
Exact Mass355.24
IUPAC Name4-[2-(3,3-difluorocyclopentyl)-5-methylpyrazol-3-yl]-1-(oxetan-3-yl)piperidine;ethane
SMILESCC.Cc1cc(C2CCN(C3COC3)CC2)n(C2CCC(F)(F)C2)n1
InChIInChI=1S/C17H25F2N3O.C2H6/c1-12-8-16(22(20-12)14-2-5-17(18,19)9-14)13-3-6-21(7-4-13)15-10-23-11-15;1-2/h8,13-15H,2-7,9-11H2,1H3;1-2H3
InChIKeyGKXMYEGWVHMXOF-UHFFFAOYSA-N
XLogP4.16
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.47
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(Cyclopentylmethyl)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholine
CID 53567282
(1S,5R)-6-(3-iodo-1-propan-2-ylpyrazol-5-yl)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane
CID 90292755
N-ethyl-N-[(3-isobutyl-1-methyl-1H-pyrazol-5-yl)methyl]-2-methoxyethanamine
CID 50982267
5-cyclopropyl-3-(difluoromethyl)-1-[(3S)-oxan-3-yl]pyrazole
CID 164630170
5-Cyclopentyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole
CID 71204366
5-Cyclopentyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole
CID 90162078
1-(3,3-difluorocyclopentyl)-3-iodo-5-(1-(oxetan-3-yl)azetidin-3-yl)-1H-pyrazole
CID 90292762
4-(1-(3,3-difluorocyclopentyl)-3-iodo-1H-pyrazol-5-yl)-1-(oxetan-3-yl)piperidine
CID 90292789
5-Ethyl-1-(2-methoxyethyl)-3-(trifluoromethyl)pyrazole
CID 118464187
2-(5-isopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)ethan-1-ol
CID 121211723
[4-[1-(3,3-Difluorocyclopentyl)-3-ethylpyrazol-5-yl]piperidin-1-yl]-[(2-methylpropan-2-yl)oxy]methanol
CID 123140818
4-[2-(3,3-Difluorocyclopentyl)-5-methylpyrazol-3-yl]-1-(oxetan-3-yl)piperidine
CID 123519965

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,3-difluorocyclopentyl)-5-methylpyrazol-3-yl]-1-(oxetan-3-yl)piperidine;ethane?
The IUPAC name of 4-[2-(3,3-difluorocyclopentyl)-5-methylpyrazol-3-yl]-1-(oxetan-3-yl)piperidine;ethane (CID 144669810) is 4-[2-(3,3-difluorocyclopentyl)-5-methylpyrazol-3-yl]-1-(oxetan-3-yl)piperidine;ethane.
What is the SMILES notation for 4-[2-(3,3-difluorocyclopentyl)-5-methylpyrazol-3-yl]-1-(oxetan-3-yl)piperidine;ethane?
The canonical SMILES for 4-[2-(3,3-difluorocyclopentyl)-5-methylpyrazol-3-yl]-1-(oxetan-3-yl)piperidine;ethane is CC.Cc1cc(C2CCN(C3COC3)CC2)n(C2CCC(F)(F)C2)n1.
What is the InChIKey of 4-[2-(3,3-difluorocyclopentyl)-5-methylpyrazol-3-yl]-1-(oxetan-3-yl)piperidine;ethane?
The InChIKey is GKXMYEGWVHMXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2N3O.C2H6/c1-12-8-16(22(20-12)14-2-5-17(18,19)9-14)13-3-6-21(7-4-13)15-10-23-11-15;1-2/h8,13-15H,2-7,9-11H2,1H3;1-2H3.
What are the key properties of 4-[2-(3,3-difluorocyclopentyl)-5-methylpyrazol-3-yl]-1-(oxetan-3-yl)piperidine;ethane?
4-[2-(3,3-difluorocyclopentyl)-5-methylpyrazol-3-yl]-1-(oxetan-3-yl)piperidine;ethane has a molecular weight of 355.47 g/mol, XLogP of 4.16, 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)-5-methylpyrazol-3-yl]-1-(oxetan-3-yl)piperidine;ethane is sourced from PubChem (CID 144669810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).