1-(3-propan-2-yloxyazetidin-1-yl)-2-(4-propan-2-ylpyrazol-1-yl)ethanone

C14H23N3O2 — CID 172511157

IUPAC1-(3-propan-2-yloxyazetidin-1-yl)-2-(4-propan-2-ylpyrazol-1-yl)ethanone
SMILESCC(C)OC1CN(C(=O)Cn2cc(C(C)C)cn2)C1
InChIInChI=1S/C14H23N3O2/c1-10(2)12-5-15-17(6-12)9-14(18)16-7-13(8-16)19-11(3)4/h5-6,10-11,13H,7-9H2,1-4H3
InChIKeyIGQWHDYAQARQMS-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.64
Rot. Bonds5

About 1-(3-propan-2-yloxyazetidin-1-yl)-2-(4-propan-2-ylpyrazol-1-yl)ethanone

1-(3-propan-2-yloxyazetidin-1-yl)-2-(4-propan-2-ylpyrazol-1-yl)ethanone (PubChem CID 172511157) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-(3-propan-2-yloxyazetidin-1-yl)-2-(4-propan-2-ylpyrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(3-propan-2-yloxyazetidin-1-yl)-2-(4-propan-2-ylpyrazol-1-yl)ethanone
PubChem CID172511157
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name1-(3-propan-2-yloxyazetidin-1-yl)-2-(4-propan-2-ylpyrazol-1-yl)ethanone
SMILESCC(C)OC1CN(C(=O)Cn2cc(C(C)C)cn2)C1
InChIInChI=1S/C14H23N3O2/c1-10(2)12-5-15-17(6-12)9-14(18)16-7-13(8-16)19-11(3)4/h5-6,10-11,13H,7-9H2,1-4H3
InChIKeyIGQWHDYAQARQMS-UHFFFAOYSA-N
XLogP1.64
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-propan-2-yloxyazetidin-1-yl)-2-(4-propan-2-ylpyrazol-1-yl)ethanone?
The IUPAC name of 1-(3-propan-2-yloxyazetidin-1-yl)-2-(4-propan-2-ylpyrazol-1-yl)ethanone (CID 172511157) is 1-(3-propan-2-yloxyazetidin-1-yl)-2-(4-propan-2-ylpyrazol-1-yl)ethanone.
What is the SMILES notation for 1-(3-propan-2-yloxyazetidin-1-yl)-2-(4-propan-2-ylpyrazol-1-yl)ethanone?
The canonical SMILES for 1-(3-propan-2-yloxyazetidin-1-yl)-2-(4-propan-2-ylpyrazol-1-yl)ethanone is CC(C)OC1CN(C(=O)Cn2cc(C(C)C)cn2)C1.
What is the InChIKey of 1-(3-propan-2-yloxyazetidin-1-yl)-2-(4-propan-2-ylpyrazol-1-yl)ethanone?
The InChIKey is IGQWHDYAQARQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10(2)12-5-15-17(6-12)9-14(18)16-7-13(8-16)19-11(3)4/h5-6,10-11,13H,7-9H2,1-4H3.
What are the key properties of 1-(3-propan-2-yloxyazetidin-1-yl)-2-(4-propan-2-ylpyrazol-1-yl)ethanone?
1-(3-propan-2-yloxyazetidin-1-yl)-2-(4-propan-2-ylpyrazol-1-yl)ethanone has a molecular weight of 265.36 g/mol, XLogP of 1.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propan-2-yloxyazetidin-1-yl)-2-(4-propan-2-ylpyrazol-1-yl)ethanone is sourced from PubChem (CID 172511157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).