1-(2,6-dimethylmorpholin-4-yl)-2-pyrazol-1-ylethanone

C11H17N3O2 — CID 51074299

IUPAC1-(2,6-dimethylmorpholin-4-yl)-2-pyrazol-1-ylethanone
SMILESCC1CN(C(=O)Cn2cccn2)CC(C)O1
InChIInChI=1S/C11H17N3O2/c1-9-6-13(7-10(2)16-9)11(15)8-14-5-3-4-12-14/h3-5,9-10H,6-8H2,1-2H3
InChIKeyKCSNWQKLYGAYRO-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.52
Rot. Bonds2

About 1-(2,6-dimethylmorpholin-4-yl)-2-pyrazol-1-ylethanone

1-(2,6-dimethylmorpholin-4-yl)-2-pyrazol-1-ylethanone (PubChem CID 51074299) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-(2,6-dimethylmorpholin-4-yl)-2-pyrazol-1-ylethanone.

Molecular Properties

Compound Name1-(2,6-dimethylmorpholin-4-yl)-2-pyrazol-1-ylethanone
PubChem CID51074299
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name1-(2,6-dimethylmorpholin-4-yl)-2-pyrazol-1-ylethanone
SMILESCC1CN(C(=O)Cn2cccn2)CC(C)O1
InChIInChI=1S/C11H17N3O2/c1-9-6-13(7-10(2)16-9)11(15)8-14-5-3-4-12-14/h3-5,9-10H,6-8H2,1-2H3
InChIKeyKCSNWQKLYGAYRO-UHFFFAOYSA-N
XLogP0.52
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-2-pyrazol-1-ylethanone?
The IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-2-pyrazol-1-ylethanone (CID 51074299) is 1-(2,6-dimethylmorpholin-4-yl)-2-pyrazol-1-ylethanone.
What is the SMILES notation for 1-(2,6-dimethylmorpholin-4-yl)-2-pyrazol-1-ylethanone?
The canonical SMILES for 1-(2,6-dimethylmorpholin-4-yl)-2-pyrazol-1-ylethanone is CC1CN(C(=O)Cn2cccn2)CC(C)O1.
What is the InChIKey of 1-(2,6-dimethylmorpholin-4-yl)-2-pyrazol-1-ylethanone?
The InChIKey is KCSNWQKLYGAYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-9-6-13(7-10(2)16-9)11(15)8-14-5-3-4-12-14/h3-5,9-10H,6-8H2,1-2H3.
What are the key properties of 1-(2,6-dimethylmorpholin-4-yl)-2-pyrazol-1-ylethanone?
1-(2,6-dimethylmorpholin-4-yl)-2-pyrazol-1-ylethanone has a molecular weight of 223.28 g/mol, XLogP of 0.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylmorpholin-4-yl)-2-pyrazol-1-ylethanone is sourced from PubChem (CID 51074299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).