1-[3,3-difluoro-1-(oxetan-3-yl)piperidin-4-yl]-5-methylpyrazol-4-amine;methane

C13H22F2N4O — CID 158693579

IUPAC1-[3,3-difluoro-1-(oxetan-3-yl)piperidin-4-yl]-5-methylpyrazol-4-amine;methane
SMILESC.Cc1c(N)cnn1C1CCN(C2COC2)CC1(F)F
InChIInChI=1S/C12H18F2N4O.CH4/c1-8-10(15)4-16-18(8)11-2-3-17(7-12(11,13)14)9-5-19-6-9;/h4,9,11H,2-3,5-7,15H2,1H3;1H4
InChIKeyIGQQITFUFJROOD-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.69
Rot. Bonds2

About 1-[3,3-difluoro-1-(oxetan-3-yl)piperidin-4-yl]-5-methylpyrazol-4-amine;methane

1-[3,3-difluoro-1-(oxetan-3-yl)piperidin-4-yl]-5-methylpyrazol-4-amine;methane (PubChem CID 158693579) has the molecular formula C13H22F2N4O and a molecular weight of 288.34 g/mol. Its IUPAC name is 1-[3,3-difluoro-1-(oxetan-3-yl)piperidin-4-yl]-5-methylpyrazol-4-amine;methane.

Molecular Properties

Compound Name1-[3,3-difluoro-1-(oxetan-3-yl)piperidin-4-yl]-5-methylpyrazol-4-amine;methane
PubChem CID158693579
Molecular FormulaC13H22F2N4O
Molecular Weight288.34 g/mol
Exact Mass288.18
IUPAC Name1-[3,3-difluoro-1-(oxetan-3-yl)piperidin-4-yl]-5-methylpyrazol-4-amine;methane
SMILESC.Cc1c(N)cnn1C1CCN(C2COC2)CC1(F)F
InChIInChI=1S/C12H18F2N4O.CH4/c1-8-10(15)4-16-18(8)11-2-3-17(7-12(11,13)14)9-5-19-6-9;/h4,9,11H,2-3,5-7,15H2,1H3;1H4
InChIKeyIGQQITFUFJROOD-UHFFFAOYSA-N
XLogP1.69
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3,3-difluoro-1-(oxetan-3-yl)piperidin-4-yl]-5-methylpyrazol-4-amine;methane?
The IUPAC name of 1-[3,3-difluoro-1-(oxetan-3-yl)piperidin-4-yl]-5-methylpyrazol-4-amine;methane (CID 158693579) is 1-[3,3-difluoro-1-(oxetan-3-yl)piperidin-4-yl]-5-methylpyrazol-4-amine;methane.
What is the SMILES notation for 1-[3,3-difluoro-1-(oxetan-3-yl)piperidin-4-yl]-5-methylpyrazol-4-amine;methane?
The canonical SMILES for 1-[3,3-difluoro-1-(oxetan-3-yl)piperidin-4-yl]-5-methylpyrazol-4-amine;methane is C.Cc1c(N)cnn1C1CCN(C2COC2)CC1(F)F.
What is the InChIKey of 1-[3,3-difluoro-1-(oxetan-3-yl)piperidin-4-yl]-5-methylpyrazol-4-amine;methane?
The InChIKey is IGQQITFUFJROOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N4O.CH4/c1-8-10(15)4-16-18(8)11-2-3-17(7-12(11,13)14)9-5-19-6-9;/h4,9,11H,2-3,5-7,15H2,1H3;1H4.
What are the key properties of 1-[3,3-difluoro-1-(oxetan-3-yl)piperidin-4-yl]-5-methylpyrazol-4-amine;methane?
1-[3,3-difluoro-1-(oxetan-3-yl)piperidin-4-yl]-5-methylpyrazol-4-amine;methane has a molecular weight of 288.34 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,3-difluoro-1-(oxetan-3-yl)piperidin-4-yl]-5-methylpyrazol-4-amine;methane is sourced from PubChem (CID 158693579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).