1-(3-hydroxyazetidin-1-yl)-2-pyrazol-1-ylethanone

C8H11N3O2 — CID 63106745

IUPAC1-(3-hydroxyazetidin-1-yl)-2-pyrazol-1-ylethanone
SMILESO=C(Cn1cccn1)N1CC(O)C1
InChIInChI=1S/C8H11N3O2/c12-7-4-10(5-7)8(13)6-11-3-1-2-9-11/h1-3,7,12H,4-6H2
InChIKeySRGDAVMSLAYSAG-UHFFFAOYSA-N
MW181.19 g/mol
LogP-0.91
Rot. Bonds2

About 1-(3-hydroxyazetidin-1-yl)-2-pyrazol-1-ylethanone

1-(3-hydroxyazetidin-1-yl)-2-pyrazol-1-ylethanone (PubChem CID 63106745) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 1-(3-hydroxyazetidin-1-yl)-2-pyrazol-1-ylethanone.

Molecular Properties

Compound Name1-(3-hydroxyazetidin-1-yl)-2-pyrazol-1-ylethanone
PubChem CID63106745
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name1-(3-hydroxyazetidin-1-yl)-2-pyrazol-1-ylethanone
SMILESO=C(Cn1cccn1)N1CC(O)C1
InChIInChI=1S/C8H11N3O2/c12-7-4-10(5-7)8(13)6-11-3-1-2-9-11/h1-3,7,12H,4-6H2
InChIKeySRGDAVMSLAYSAG-UHFFFAOYSA-N
XLogP-0.91
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-hydroxyazetidin-1-yl)-2-pyrazol-1-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxyazetidin-1-yl)-2-pyrazol-1-ylethanone?
The IUPAC name of 1-(3-hydroxyazetidin-1-yl)-2-pyrazol-1-ylethanone (CID 63106745) is 1-(3-hydroxyazetidin-1-yl)-2-pyrazol-1-ylethanone.
What is the SMILES notation for 1-(3-hydroxyazetidin-1-yl)-2-pyrazol-1-ylethanone?
The canonical SMILES for 1-(3-hydroxyazetidin-1-yl)-2-pyrazol-1-ylethanone is O=C(Cn1cccn1)N1CC(O)C1.
What is the InChIKey of 1-(3-hydroxyazetidin-1-yl)-2-pyrazol-1-ylethanone?
The InChIKey is SRGDAVMSLAYSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c12-7-4-10(5-7)8(13)6-11-3-1-2-9-11/h1-3,7,12H,4-6H2.
What are the key properties of 1-(3-hydroxyazetidin-1-yl)-2-pyrazol-1-ylethanone?
1-(3-hydroxyazetidin-1-yl)-2-pyrazol-1-ylethanone has a molecular weight of 181.19 g/mol, XLogP of -0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxyazetidin-1-yl)-2-pyrazol-1-ylethanone is sourced from PubChem (CID 63106745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).