2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-1-(4-fluorophenyl)ethanol

C16H20FN3O — CID 56781744

IUPAC2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-1-(4-fluorophenyl)ethanol
SMILESCc1cc(C)n(C2CN(CC(O)c3ccc(F)cc3)C2)n1
InChIInChI=1S/C16H20FN3O/c1-11-7-12(2)20(18-11)15-8-19(9-15)10-16(21)13-3-5-14(17)6-4-13/h3-7,15-16,21H,8-10H2,1-2H3
InChIKeyUVKVIXCTVYRWRF-UHFFFAOYSA-N
MW289.35 g/mol
LogP2.23
Rot. Bonds4

About 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-1-(4-fluorophenyl)ethanol

2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-1-(4-fluorophenyl)ethanol (PubChem CID 56781744) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-1-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-1-(4-fluorophenyl)ethanol
PubChem CID56781744
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Name2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-1-(4-fluorophenyl)ethanol
SMILESCc1cc(C)n(C2CN(CC(O)c3ccc(F)cc3)C2)n1
InChIInChI=1S/C16H20FN3O/c1-11-7-12(2)20(18-11)15-8-19(9-15)10-16(21)13-3-5-14(17)6-4-13/h3-7,15-16,21H,8-10H2,1-2H3
InChIKeyUVKVIXCTVYRWRF-UHFFFAOYSA-N
XLogP2.23
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-1-(4-fluorophenyl)ethanol?
The IUPAC name of 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-1-(4-fluorophenyl)ethanol (CID 56781744) is 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-1-(4-fluorophenyl)ethanol.
What is the SMILES notation for 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-1-(4-fluorophenyl)ethanol?
The canonical SMILES for 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-1-(4-fluorophenyl)ethanol is Cc1cc(C)n(C2CN(CC(O)c3ccc(F)cc3)C2)n1.
What is the InChIKey of 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-1-(4-fluorophenyl)ethanol?
The InChIKey is UVKVIXCTVYRWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-11-7-12(2)20(18-11)15-8-19(9-15)10-16(21)13-3-5-14(17)6-4-13/h3-7,15-16,21H,8-10H2,1-2H3.
What are the key properties of 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-1-(4-fluorophenyl)ethanol?
2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-1-(4-fluorophenyl)ethanol has a molecular weight of 289.35 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-1-(4-fluorophenyl)ethanol is sourced from PubChem (CID 56781744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).