5-chloro-1-[4,4-difluoro-1-(oxetan-3-yl)piperidin-3-yl]pyrazol-4-amine

C11H15ClF2N4O — CID 118288825

IUPAC5-chloro-1-[4,4-difluoro-1-(oxetan-3-yl)piperidin-3-yl]pyrazol-4-amine
SMILESNc1cnn(C2CN(C3COC3)CCC2(F)F)c1Cl
InChIInChI=1S/C11H15ClF2N4O/c12-10-8(15)3-16-18(10)9-4-17(7-5-19-6-7)2-1-11(9,13)14/h3,7,9H,1-2,4-6,15H2
InChIKeyZLYMLCZXYCLGEB-UHFFFAOYSA-N
MW292.72 g/mol
LogP1.40
Rot. Bonds2

About 5-chloro-1-[4,4-difluoro-1-(oxetan-3-yl)piperidin-3-yl]pyrazol-4-amine

5-chloro-1-[4,4-difluoro-1-(oxetan-3-yl)piperidin-3-yl]pyrazol-4-amine (PubChem CID 118288825) has the molecular formula C11H15ClF2N4O and a molecular weight of 292.72 g/mol. Its IUPAC name is 5-chloro-1-[4,4-difluoro-1-(oxetan-3-yl)piperidin-3-yl]pyrazol-4-amine.

Molecular Properties

Compound Name5-chloro-1-[4,4-difluoro-1-(oxetan-3-yl)piperidin-3-yl]pyrazol-4-amine
PubChem CID118288825
Molecular FormulaC11H15ClF2N4O
Molecular Weight292.72 g/mol
Exact Mass292.09
IUPAC Name5-chloro-1-[4,4-difluoro-1-(oxetan-3-yl)piperidin-3-yl]pyrazol-4-amine
SMILESNc1cnn(C2CN(C3COC3)CCC2(F)F)c1Cl
InChIInChI=1S/C11H15ClF2N4O/c12-10-8(15)3-16-18(10)9-4-17(7-5-19-6-7)2-1-11(9,13)14/h3,7,9H,1-2,4-6,15H2
InChIKeyZLYMLCZXYCLGEB-UHFFFAOYSA-N
XLogP1.40
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[4,4-difluoro-1-(oxetan-3-yl)piperidin-3-yl]pyrazol-4-amine?
The IUPAC name of 5-chloro-1-[4,4-difluoro-1-(oxetan-3-yl)piperidin-3-yl]pyrazol-4-amine (CID 118288825) is 5-chloro-1-[4,4-difluoro-1-(oxetan-3-yl)piperidin-3-yl]pyrazol-4-amine.
What is the SMILES notation for 5-chloro-1-[4,4-difluoro-1-(oxetan-3-yl)piperidin-3-yl]pyrazol-4-amine?
The canonical SMILES for 5-chloro-1-[4,4-difluoro-1-(oxetan-3-yl)piperidin-3-yl]pyrazol-4-amine is Nc1cnn(C2CN(C3COC3)CCC2(F)F)c1Cl.
What is the InChIKey of 5-chloro-1-[4,4-difluoro-1-(oxetan-3-yl)piperidin-3-yl]pyrazol-4-amine?
The InChIKey is ZLYMLCZXYCLGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClF2N4O/c12-10-8(15)3-16-18(10)9-4-17(7-5-19-6-7)2-1-11(9,13)14/h3,7,9H,1-2,4-6,15H2.
What are the key properties of 5-chloro-1-[4,4-difluoro-1-(oxetan-3-yl)piperidin-3-yl]pyrazol-4-amine?
5-chloro-1-[4,4-difluoro-1-(oxetan-3-yl)piperidin-3-yl]pyrazol-4-amine has a molecular weight of 292.72 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[4,4-difluoro-1-(oxetan-3-yl)piperidin-3-yl]pyrazol-4-amine is sourced from PubChem (CID 118288825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).