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

C12H19FN4O — CID 118365686

IUPAC1-[3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]-3-methylpyrazol-4-amine
SMILESCc1nn(C2CCN(C3COC3)CC2F)cc1N
InChIInChI=1S/C12H19FN4O/c1-8-11(14)5-17(15-8)12-2-3-16(4-10(12)13)9-6-18-7-9/h5,9-10,12H,2-4,6-7,14H2,1H3
InChIKeyAJIICQOVTJRDOS-UHFFFAOYSA-N
MW254.31 g/mol
LogP0.76
Rot. Bonds2

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

1-[3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]-3-methylpyrazol-4-amine (PubChem CID 118365686) has the molecular formula C12H19FN4O and a molecular weight of 254.31 g/mol. Its IUPAC name is 1-[3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]-3-methylpyrazol-4-amine.

Molecular Properties

Compound Name1-[3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]-3-methylpyrazol-4-amine
PubChem CID118365686
Molecular FormulaC12H19FN4O
Molecular Weight254.31 g/mol
Exact Mass254.15
IUPAC Name1-[3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]-3-methylpyrazol-4-amine
SMILESCc1nn(C2CCN(C3COC3)CC2F)cc1N
InChIInChI=1S/C12H19FN4O/c1-8-11(14)5-17(15-8)12-2-3-16(4-10(12)13)9-6-18-7-9/h5,9-10,12H,2-4,6-7,14H2,1H3
InChIKeyAJIICQOVTJRDOS-UHFFFAOYSA-N
XLogP0.76
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.76
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]-3-methylpyrazol-4-amine?
The IUPAC name of 1-[3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]-3-methylpyrazol-4-amine (CID 118365686) is 1-[3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]-3-methylpyrazol-4-amine.
What is the SMILES notation for 1-[3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]-3-methylpyrazol-4-amine?
The canonical SMILES for 1-[3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]-3-methylpyrazol-4-amine is Cc1nn(C2CCN(C3COC3)CC2F)cc1N.
What is the InChIKey of 1-[3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]-3-methylpyrazol-4-amine?
The InChIKey is AJIICQOVTJRDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN4O/c1-8-11(14)5-17(15-8)12-2-3-16(4-10(12)13)9-6-18-7-9/h5,9-10,12H,2-4,6-7,14H2,1H3.
What are the key properties of 1-[3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]-3-methylpyrazol-4-amine?
1-[3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]-3-methylpyrazol-4-amine has a molecular weight of 254.31 g/mol, XLogP of 0.76, 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]-3-methylpyrazol-4-amine is sourced from PubChem (CID 118365686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).