1-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-3-(4-fluorophenoxy)propan-2-ol

C17H22FN3O2 — CID 56781737

IUPAC1-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-3-(4-fluorophenoxy)propan-2-ol
SMILESCc1cc(C)n(C2CN(CC(O)COc3ccc(F)cc3)C2)n1
InChIInChI=1S/C17H22FN3O2/c1-12-7-13(2)21(19-12)15-8-20(9-15)10-16(22)11-23-17-5-3-14(18)4-6-17/h3-7,15-16,22H,8-11H2,1-2H3
InChIKeyUIFHTUBYEABUHB-UHFFFAOYSA-N
MW319.38 g/mol
LogP1.94
Rot. Bonds6

About 1-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-3-(4-fluorophenoxy)propan-2-ol

1-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-3-(4-fluorophenoxy)propan-2-ol (PubChem CID 56781737) has the molecular formula C17H22FN3O2 and a molecular weight of 319.38 g/mol. Its IUPAC name is 1-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-3-(4-fluorophenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-3-(4-fluorophenoxy)propan-2-ol
PubChem CID56781737
Molecular FormulaC17H22FN3O2
Molecular Weight319.38 g/mol
Exact Mass319.17
IUPAC Name1-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-3-(4-fluorophenoxy)propan-2-ol
SMILESCc1cc(C)n(C2CN(CC(O)COc3ccc(F)cc3)C2)n1
InChIInChI=1S/C17H22FN3O2/c1-12-7-13(2)21(19-12)15-8-20(9-15)10-16(22)11-23-17-5-3-14(18)4-6-17/h3-7,15-16,22H,8-11H2,1-2H3
InChIKeyUIFHTUBYEABUHB-UHFFFAOYSA-N
XLogP1.94
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-3-(4-fluorophenoxy)propan-2-ol?
The IUPAC name of 1-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-3-(4-fluorophenoxy)propan-2-ol (CID 56781737) is 1-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-3-(4-fluorophenoxy)propan-2-ol.
What is the SMILES notation for 1-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-3-(4-fluorophenoxy)propan-2-ol?
The canonical SMILES for 1-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-3-(4-fluorophenoxy)propan-2-ol is Cc1cc(C)n(C2CN(CC(O)COc3ccc(F)cc3)C2)n1.
What is the InChIKey of 1-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-3-(4-fluorophenoxy)propan-2-ol?
The InChIKey is UIFHTUBYEABUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O2/c1-12-7-13(2)21(19-12)15-8-20(9-15)10-16(22)11-23-17-5-3-14(18)4-6-17/h3-7,15-16,22H,8-11H2,1-2H3.
What are the key properties of 1-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-3-(4-fluorophenoxy)propan-2-ol?
1-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-3-(4-fluorophenoxy)propan-2-ol has a molecular weight of 319.38 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-3-(4-fluorophenoxy)propan-2-ol is sourced from PubChem (CID 56781737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).