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

C16H19F2N3O — CID 56781795

IUPAC1-(2,5-difluorophenyl)-2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]ethanol
SMILESCc1cc(C)n(C2CN(CC(O)c3cc(F)ccc3F)C2)n1
InChIInChI=1S/C16H19F2N3O/c1-10-5-11(2)21(19-10)13-7-20(8-13)9-16(22)14-6-12(17)3-4-15(14)18/h3-6,13,16,22H,7-9H2,1-2H3
InChIKeyZAQAWHJGEXCRHI-UHFFFAOYSA-N
MW307.34 g/mol
LogP2.37
Rot. Bonds4

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

1-(2,5-difluorophenyl)-2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]ethanol (PubChem CID 56781795) has the molecular formula C16H19F2N3O and a molecular weight of 307.34 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]ethanol.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]ethanol
PubChem CID56781795
Molecular FormulaC16H19F2N3O
Molecular Weight307.34 g/mol
Exact Mass307.15
IUPAC Name1-(2,5-difluorophenyl)-2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]ethanol
SMILESCc1cc(C)n(C2CN(CC(O)c3cc(F)ccc3F)C2)n1
InChIInChI=1S/C16H19F2N3O/c1-10-5-11(2)21(19-10)13-7-20(8-13)9-16(22)14-6-12(17)3-4-15(14)18/h3-6,13,16,22H,7-9H2,1-2H3
InChIKeyZAQAWHJGEXCRHI-UHFFFAOYSA-N
XLogP2.37
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]ethanol?
The IUPAC name of 1-(2,5-difluorophenyl)-2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]ethanol (CID 56781795) is 1-(2,5-difluorophenyl)-2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]ethanol.
What is the SMILES notation for 1-(2,5-difluorophenyl)-2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]ethanol?
The canonical SMILES for 1-(2,5-difluorophenyl)-2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]ethanol is Cc1cc(C)n(C2CN(CC(O)c3cc(F)ccc3F)C2)n1.
What is the InChIKey of 1-(2,5-difluorophenyl)-2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]ethanol?
The InChIKey is ZAQAWHJGEXCRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3O/c1-10-5-11(2)21(19-10)13-7-20(8-13)9-16(22)14-6-12(17)3-4-15(14)18/h3-6,13,16,22H,7-9H2,1-2H3.
What are the key properties of 1-(2,5-difluorophenyl)-2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]ethanol?
1-(2,5-difluorophenyl)-2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]ethanol has a molecular weight of 307.34 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]ethanol is sourced from PubChem (CID 56781795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).