1-(2,6-dimethylmorpholin-4-yl)-2-(4-nitropyrazol-1-yl)ethanone

C11H16N4O4 — CID 4273280

IUPAC1-(2,6-dimethylmorpholin-4-yl)-2-(4-nitropyrazol-1-yl)ethanone
SMILESCC1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC(C)O1
InChIInChI=1S/C11H16N4O4/c1-8-4-13(5-9(2)19-8)11(16)7-14-6-10(3-12-14)15(17)18/h3,6,8-9H,4-5,7H2,1-2H3
InChIKeyYYOLBXMNZRDYCK-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.43
Rot. Bonds3

About 1-(2,6-dimethylmorpholin-4-yl)-2-(4-nitropyrazol-1-yl)ethanone

1-(2,6-dimethylmorpholin-4-yl)-2-(4-nitropyrazol-1-yl)ethanone (PubChem CID 4273280) has the molecular formula C11H16N4O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 1-(2,6-dimethylmorpholin-4-yl)-2-(4-nitropyrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(2,6-dimethylmorpholin-4-yl)-2-(4-nitropyrazol-1-yl)ethanone
PubChem CID4273280
Molecular FormulaC11H16N4O4
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC Name1-(2,6-dimethylmorpholin-4-yl)-2-(4-nitropyrazol-1-yl)ethanone
SMILESCC1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC(C)O1
InChIInChI=1S/C11H16N4O4/c1-8-4-13(5-9(2)19-8)11(16)7-14-6-10(3-12-14)15(17)18/h3,6,8-9H,4-5,7H2,1-2H3
InChIKeyYYOLBXMNZRDYCK-UHFFFAOYSA-N
XLogP0.43
TPSA90.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-2-(4-nitropyrazol-1-yl)ethanone?
The IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-2-(4-nitropyrazol-1-yl)ethanone (CID 4273280) is 1-(2,6-dimethylmorpholin-4-yl)-2-(4-nitropyrazol-1-yl)ethanone.
What is the SMILES notation for 1-(2,6-dimethylmorpholin-4-yl)-2-(4-nitropyrazol-1-yl)ethanone?
The canonical SMILES for 1-(2,6-dimethylmorpholin-4-yl)-2-(4-nitropyrazol-1-yl)ethanone is CC1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC(C)O1.
What is the InChIKey of 1-(2,6-dimethylmorpholin-4-yl)-2-(4-nitropyrazol-1-yl)ethanone?
The InChIKey is YYOLBXMNZRDYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4/c1-8-4-13(5-9(2)19-8)11(16)7-14-6-10(3-12-14)15(17)18/h3,6,8-9H,4-5,7H2,1-2H3.
What are the key properties of 1-(2,6-dimethylmorpholin-4-yl)-2-(4-nitropyrazol-1-yl)ethanone?
1-(2,6-dimethylmorpholin-4-yl)-2-(4-nitropyrazol-1-yl)ethanone has a molecular weight of 268.27 g/mol, XLogP of 0.43, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylmorpholin-4-yl)-2-(4-nitropyrazol-1-yl)ethanone is sourced from PubChem (CID 4273280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).