[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-(4-fluoro-3-hydroxyphenyl)methanone

C15H16FN3O2 — CID 137337942

IUPAC[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-(4-fluoro-3-hydroxyphenyl)methanone
SMILESCc1cc(C)n(C2CN(C(=O)c3ccc(F)c(O)c3)C2)n1
InChIInChI=1S/C15H16FN3O2/c1-9-5-10(2)19(17-9)12-7-18(8-12)15(21)11-3-4-13(16)14(20)6-11/h3-6,12,20H,7-8H2,1-2H3
InChIKeyLGOPVYZVGIHBGB-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.04
Rot. Bonds2

About [3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-(4-fluoro-3-hydroxyphenyl)methanone

[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-(4-fluoro-3-hydroxyphenyl)methanone (PubChem CID 137337942) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is [3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-(4-fluoro-3-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-(4-fluoro-3-hydroxyphenyl)methanone
PubChem CID137337942
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Name[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-(4-fluoro-3-hydroxyphenyl)methanone
SMILESCc1cc(C)n(C2CN(C(=O)c3ccc(F)c(O)c3)C2)n1
InChIInChI=1S/C15H16FN3O2/c1-9-5-10(2)19(17-9)12-7-18(8-12)15(21)11-3-4-13(16)14(20)6-11/h3-6,12,20H,7-8H2,1-2H3
InChIKeyLGOPVYZVGIHBGB-UHFFFAOYSA-N
XLogP2.04
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-(4-fluoro-3-hydroxyphenyl)methanone?
The IUPAC name of [3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-(4-fluoro-3-hydroxyphenyl)methanone (CID 137337942) is [3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-(4-fluoro-3-hydroxyphenyl)methanone.
What is the SMILES notation for [3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-(4-fluoro-3-hydroxyphenyl)methanone?
The canonical SMILES for [3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-(4-fluoro-3-hydroxyphenyl)methanone is Cc1cc(C)n(C2CN(C(=O)c3ccc(F)c(O)c3)C2)n1.
What is the InChIKey of [3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-(4-fluoro-3-hydroxyphenyl)methanone?
The InChIKey is LGOPVYZVGIHBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c1-9-5-10(2)19(17-9)12-7-18(8-12)15(21)11-3-4-13(16)14(20)6-11/h3-6,12,20H,7-8H2,1-2H3.
What are the key properties of [3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-(4-fluoro-3-hydroxyphenyl)methanone?
[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-(4-fluoro-3-hydroxyphenyl)methanone has a molecular weight of 289.31 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-(4-fluoro-3-hydroxyphenyl)methanone is sourced from PubChem (CID 137337942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).