1-[3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-amine

C11H17FN4O — CID 90104511

IUPAC1-[3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-amine
SMILESNc1cnn(C2CCN(C3COC3)CC2F)c1
InChIInChI=1S/C11H17FN4O/c12-10-5-15(9-6-17-7-9)2-1-11(10)16-4-8(13)3-14-16/h3-4,9-11H,1-2,5-7,13H2
InChIKeyNHOWHGBMZALVMP-UHFFFAOYSA-N
MW240.28 g/mol
LogP0.45
Rot. Bonds2

About 1-[3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-amine

1-[3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-amine (PubChem CID 90104511) has the molecular formula C11H17FN4O and a molecular weight of 240.28 g/mol. Its IUPAC name is 1-[3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-amine
PubChem CID90104511
Molecular FormulaC11H17FN4O
Molecular Weight240.28 g/mol
Exact Mass240.14
IUPAC Name1-[3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-amine
SMILESNc1cnn(C2CCN(C3COC3)CC2F)c1
InChIInChI=1S/C11H17FN4O/c12-10-5-15(9-6-17-7-9)2-1-11(10)16-4-8(13)3-14-16/h3-4,9-11H,1-2,5-7,13H2
InChIKeyNHOWHGBMZALVMP-UHFFFAOYSA-N
XLogP0.45
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-amine?
The IUPAC name of 1-[3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-amine (CID 90104511) is 1-[3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-amine.
What is the SMILES notation for 1-[3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-amine?
The canonical SMILES for 1-[3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-amine is Nc1cnn(C2CCN(C3COC3)CC2F)c1.
What is the InChIKey of 1-[3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-amine?
The InChIKey is NHOWHGBMZALVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN4O/c12-10-5-15(9-6-17-7-9)2-1-11(10)16-4-8(13)3-14-16/h3-4,9-11H,1-2,5-7,13H2.
What are the key properties of 1-[3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-amine?
1-[3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-amine has a molecular weight of 240.28 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-amine is sourced from PubChem (CID 90104511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).