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

C15H24N4O2 — CID 110197183

IUPAC[3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCCN(C1CCOCC1)C1CN(C(=O)c2cnn(C)c2)C1
InChIInChI=1S/C15H24N4O2/c1-3-19(13-4-6-21-7-5-13)14-10-18(11-14)15(20)12-8-16-17(2)9-12/h8-9,13-14H,3-7,10-11H2,1-2H3
InChIKeyAEWNOJUCVGRUTD-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.75
Rot. Bonds4

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

[3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone (PubChem CID 110197183) 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]-(1-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone
PubChem CID110197183
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name[3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCCN(C1CCOCC1)C1CN(C(=O)c2cnn(C)c2)C1
InChIInChI=1S/C15H24N4O2/c1-3-19(13-4-6-21-7-5-13)14-10-18(11-14)15(20)12-8-16-17(2)9-12/h8-9,13-14H,3-7,10-11H2,1-2H3
InChIKeyAEWNOJUCVGRUTD-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

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Frequently Asked Questions

What is the IUPAC name of [3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The IUPAC name of [3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone (CID 110197183) is [3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for [3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The canonical SMILES for [3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone is CCN(C1CCOCC1)C1CN(C(=O)c2cnn(C)c2)C1.
What is the InChIKey of [3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The InChIKey is AEWNOJUCVGRUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-3-19(13-4-6-21-7-5-13)14-10-18(11-14)15(20)12-8-16-17(2)9-12/h8-9,13-14H,3-7,10-11H2,1-2H3.
What are the key properties of [3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
[3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-(1-methylpyrazol-4-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]-(1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 110197183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).