1-(3,3-difluorocyclopentyl)-3-methyl-5-[1-(oxetan-3-yl)azetidin-3-yl]pyrazole;ethane

C17H27F2N3O — CID 144669926

IUPAC1-(3,3-difluorocyclopentyl)-3-methyl-5-[1-(oxetan-3-yl)azetidin-3-yl]pyrazole;ethane
SMILESCC.Cc1cc(C2CN(C3COC3)C2)n(C2CCC(F)(F)C2)n1
InChIInChI=1S/C15H21F2N3O.C2H6/c1-10-4-14(11-6-19(7-11)13-8-21-9-13)20(18-10)12-2-3-15(16,17)5-12;1-2/h4,11-13H,2-3,5-9H2,1H3;1-2H3
InChIKeyFXRLQUJLGSYYJL-UHFFFAOYSA-N
MW327.42 g/mol
LogP3.38
Rot. Bonds3

About 1-(3,3-difluorocyclopentyl)-3-methyl-5-[1-(oxetan-3-yl)azetidin-3-yl]pyrazole;ethane

1-(3,3-difluorocyclopentyl)-3-methyl-5-[1-(oxetan-3-yl)azetidin-3-yl]pyrazole;ethane (PubChem CID 144669926) has the molecular formula C17H27F2N3O and a molecular weight of 327.42 g/mol. Its IUPAC name is 1-(3,3-difluorocyclopentyl)-3-methyl-5-[1-(oxetan-3-yl)azetidin-3-yl]pyrazole;ethane.

Molecular Properties

Compound Name1-(3,3-difluorocyclopentyl)-3-methyl-5-[1-(oxetan-3-yl)azetidin-3-yl]pyrazole;ethane
PubChem CID144669926
Molecular FormulaC17H27F2N3O
Molecular Weight327.42 g/mol
Exact Mass327.21
IUPAC Name1-(3,3-difluorocyclopentyl)-3-methyl-5-[1-(oxetan-3-yl)azetidin-3-yl]pyrazole;ethane
SMILESCC.Cc1cc(C2CN(C3COC3)C2)n(C2CCC(F)(F)C2)n1
InChIInChI=1S/C15H21F2N3O.C2H6/c1-10-4-14(11-6-19(7-11)13-8-21-9-13)20(18-10)12-2-3-15(16,17)5-12;1-2/h4,11-13H,2-3,5-9H2,1H3;1-2H3
InChIKeyFXRLQUJLGSYYJL-UHFFFAOYSA-N
XLogP3.38
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorocyclopentyl)-3-methyl-5-[1-(oxetan-3-yl)azetidin-3-yl]pyrazole;ethane?
The IUPAC name of 1-(3,3-difluorocyclopentyl)-3-methyl-5-[1-(oxetan-3-yl)azetidin-3-yl]pyrazole;ethane (CID 144669926) is 1-(3,3-difluorocyclopentyl)-3-methyl-5-[1-(oxetan-3-yl)azetidin-3-yl]pyrazole;ethane.
What is the SMILES notation for 1-(3,3-difluorocyclopentyl)-3-methyl-5-[1-(oxetan-3-yl)azetidin-3-yl]pyrazole;ethane?
The canonical SMILES for 1-(3,3-difluorocyclopentyl)-3-methyl-5-[1-(oxetan-3-yl)azetidin-3-yl]pyrazole;ethane is CC.Cc1cc(C2CN(C3COC3)C2)n(C2CCC(F)(F)C2)n1.
What is the InChIKey of 1-(3,3-difluorocyclopentyl)-3-methyl-5-[1-(oxetan-3-yl)azetidin-3-yl]pyrazole;ethane?
The InChIKey is FXRLQUJLGSYYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N3O.C2H6/c1-10-4-14(11-6-19(7-11)13-8-21-9-13)20(18-10)12-2-3-15(16,17)5-12;1-2/h4,11-13H,2-3,5-9H2,1H3;1-2H3.
What are the key properties of 1-(3,3-difluorocyclopentyl)-3-methyl-5-[1-(oxetan-3-yl)azetidin-3-yl]pyrazole;ethane?
1-(3,3-difluorocyclopentyl)-3-methyl-5-[1-(oxetan-3-yl)azetidin-3-yl]pyrazole;ethane has a molecular weight of 327.42 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorocyclopentyl)-3-methyl-5-[1-(oxetan-3-yl)azetidin-3-yl]pyrazole;ethane is sourced from PubChem (CID 144669926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).