[3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-(2-methylpyrazol-3-yl)methanone

C15H24N4O2 — CID 110197182

IUPAC[3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCCN(C1CCOCC1)C1CN(C(=O)c2ccnn2C)C1
InChIInChI=1S/C15H24N4O2/c1-3-19(12-5-8-21-9-6-12)13-10-18(11-13)15(20)14-4-7-16-17(14)2/h4,7,12-13H,3,5-6,8-11H2,1-2H3
InChIKeySGFGLDOAJHZYIX-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.75
Rot. Bonds4

About [3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-(2-methylpyrazol-3-yl)methanone

[3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-(2-methylpyrazol-3-yl)methanone (PubChem CID 110197182) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is [3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-(2-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-(2-methylpyrazol-3-yl)methanone
PubChem CID110197182
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name[3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCCN(C1CCOCC1)C1CN(C(=O)c2ccnn2C)C1
InChIInChI=1S/C15H24N4O2/c1-3-19(12-5-8-21-9-6-12)13-10-18(11-13)15(20)14-4-7-16-17(14)2/h4,7,12-13H,3,5-6,8-11H2,1-2H3
InChIKeySGFGLDOAJHZYIX-UHFFFAOYSA-N
XLogP0.75
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-(2-methylpyrazol-3-yl)methanone 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 [3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The IUPAC name of [3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-(2-methylpyrazol-3-yl)methanone (CID 110197182) is [3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-(2-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The canonical SMILES for [3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-(2-methylpyrazol-3-yl)methanone is CCN(C1CCOCC1)C1CN(C(=O)c2ccnn2C)C1.
What is the InChIKey of [3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The InChIKey is SGFGLDOAJHZYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-3-19(12-5-8-21-9-6-12)13-10-18(11-13)15(20)14-4-7-16-17(14)2/h4,7,12-13H,3,5-6,8-11H2,1-2H3.
What are the key properties of [3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
[3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-(2-methylpyrazol-3-yl)methanone has a molecular weight of 292.38 g/mol, XLogP of 0.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-(2-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 110197182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).