3-[5-(3-fluorobut-2-en-2-yl)pyrazol-1-yl]-1-(oxetan-3-yl)piperidine

C15H22FN3O — CID 123755365

IUPAC3-[5-(3-fluorobut-2-en-2-yl)pyrazol-1-yl]-1-(oxetan-3-yl)piperidine
SMILESCC(F)=C(C)c1ccnn1C1CCCN(C2COC2)C1
InChIInChI=1S/C15H22FN3O/c1-11(12(2)16)15-5-6-17-19(15)13-4-3-7-18(8-13)14-9-20-10-14/h5-6,13-14H,3-4,7-10H2,1-2H3
InChIKeyUKSYTLSFPUHJCH-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.64
Rot. Bonds3

About 3-[5-(3-fluorobut-2-en-2-yl)pyrazol-1-yl]-1-(oxetan-3-yl)piperidine

3-[5-(3-fluorobut-2-en-2-yl)pyrazol-1-yl]-1-(oxetan-3-yl)piperidine (PubChem CID 123755365) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 3-[5-(3-fluorobut-2-en-2-yl)pyrazol-1-yl]-1-(oxetan-3-yl)piperidine.

Molecular Properties

Compound Name3-[5-(3-fluorobut-2-en-2-yl)pyrazol-1-yl]-1-(oxetan-3-yl)piperidine
PubChem CID123755365
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name3-[5-(3-fluorobut-2-en-2-yl)pyrazol-1-yl]-1-(oxetan-3-yl)piperidine
SMILESCC(F)=C(C)c1ccnn1C1CCCN(C2COC2)C1
InChIInChI=1S/C15H22FN3O/c1-11(12(2)16)15-5-6-17-19(15)13-4-3-7-18(8-13)14-9-20-10-14/h5-6,13-14H,3-4,7-10H2,1-2H3
InChIKeyUKSYTLSFPUHJCH-UHFFFAOYSA-N
XLogP2.64
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-fluorobut-2-en-2-yl)pyrazol-1-yl]-1-(oxetan-3-yl)piperidine?
The IUPAC name of 3-[5-(3-fluorobut-2-en-2-yl)pyrazol-1-yl]-1-(oxetan-3-yl)piperidine (CID 123755365) is 3-[5-(3-fluorobut-2-en-2-yl)pyrazol-1-yl]-1-(oxetan-3-yl)piperidine.
What is the SMILES notation for 3-[5-(3-fluorobut-2-en-2-yl)pyrazol-1-yl]-1-(oxetan-3-yl)piperidine?
The canonical SMILES for 3-[5-(3-fluorobut-2-en-2-yl)pyrazol-1-yl]-1-(oxetan-3-yl)piperidine is CC(F)=C(C)c1ccnn1C1CCCN(C2COC2)C1.
What is the InChIKey of 3-[5-(3-fluorobut-2-en-2-yl)pyrazol-1-yl]-1-(oxetan-3-yl)piperidine?
The InChIKey is UKSYTLSFPUHJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-11(12(2)16)15-5-6-17-19(15)13-4-3-7-18(8-13)14-9-20-10-14/h5-6,13-14H,3-4,7-10H2,1-2H3.
What are the key properties of 3-[5-(3-fluorobut-2-en-2-yl)pyrazol-1-yl]-1-(oxetan-3-yl)piperidine?
3-[5-(3-fluorobut-2-en-2-yl)pyrazol-1-yl]-1-(oxetan-3-yl)piperidine has a molecular weight of 279.36 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-fluorobut-2-en-2-yl)pyrazol-1-yl]-1-(oxetan-3-yl)piperidine is sourced from PubChem (CID 123755365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).