4-(4,5-dimethylpyrazol-1-yl)-3-fluoro-1-(oxetan-3-yl)piperidine

C13H20FN3O — CID 163579986

IUPAC4-(4,5-dimethylpyrazol-1-yl)-3-fluoro-1-(oxetan-3-yl)piperidine
SMILESCc1cnn(C2CCN(C3COC3)CC2F)c1C
InChIInChI=1S/C13H20FN3O/c1-9-5-15-17(10(9)2)13-3-4-16(6-12(13)14)11-7-18-8-11/h5,11-13H,3-4,6-8H2,1-2H3
InChIKeyGGSMKOOLJRNQLA-UHFFFAOYSA-N
MW253.32 g/mol
LogP1.48
Rot. Bonds2

About 4-(4,5-dimethylpyrazol-1-yl)-3-fluoro-1-(oxetan-3-yl)piperidine

4-(4,5-dimethylpyrazol-1-yl)-3-fluoro-1-(oxetan-3-yl)piperidine (PubChem CID 163579986) has the molecular formula C13H20FN3O and a molecular weight of 253.32 g/mol. Its IUPAC name is 4-(4,5-dimethylpyrazol-1-yl)-3-fluoro-1-(oxetan-3-yl)piperidine.

Molecular Properties

Compound Name4-(4,5-dimethylpyrazol-1-yl)-3-fluoro-1-(oxetan-3-yl)piperidine
PubChem CID163579986
Molecular FormulaC13H20FN3O
Molecular Weight253.32 g/mol
Exact Mass253.16
IUPAC Name4-(4,5-dimethylpyrazol-1-yl)-3-fluoro-1-(oxetan-3-yl)piperidine
SMILESCc1cnn(C2CCN(C3COC3)CC2F)c1C
InChIInChI=1S/C13H20FN3O/c1-9-5-15-17(10(9)2)13-3-4-16(6-12(13)14)11-7-18-8-11/h5,11-13H,3-4,6-8H2,1-2H3
InChIKeyGGSMKOOLJRNQLA-UHFFFAOYSA-N
XLogP1.48
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dimethylpyrazol-1-yl)-3-fluoro-1-(oxetan-3-yl)piperidine?
The IUPAC name of 4-(4,5-dimethylpyrazol-1-yl)-3-fluoro-1-(oxetan-3-yl)piperidine (CID 163579986) is 4-(4,5-dimethylpyrazol-1-yl)-3-fluoro-1-(oxetan-3-yl)piperidine.
What is the SMILES notation for 4-(4,5-dimethylpyrazol-1-yl)-3-fluoro-1-(oxetan-3-yl)piperidine?
The canonical SMILES for 4-(4,5-dimethylpyrazol-1-yl)-3-fluoro-1-(oxetan-3-yl)piperidine is Cc1cnn(C2CCN(C3COC3)CC2F)c1C.
What is the InChIKey of 4-(4,5-dimethylpyrazol-1-yl)-3-fluoro-1-(oxetan-3-yl)piperidine?
The InChIKey is GGSMKOOLJRNQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O/c1-9-5-15-17(10(9)2)13-3-4-16(6-12(13)14)11-7-18-8-11/h5,11-13H,3-4,6-8H2,1-2H3.
What are the key properties of 4-(4,5-dimethylpyrazol-1-yl)-3-fluoro-1-(oxetan-3-yl)piperidine?
4-(4,5-dimethylpyrazol-1-yl)-3-fluoro-1-(oxetan-3-yl)piperidine has a molecular weight of 253.32 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dimethylpyrazol-1-yl)-3-fluoro-1-(oxetan-3-yl)piperidine is sourced from PubChem (CID 163579986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).