(2,6-dimethylmorpholin-4-yl)-(1-methyl-4-nitropyrazol-5-yl)methanone

C11H16N4O4 — CID 4112680

IUPAC(2,6-dimethylmorpholin-4-yl)-(1-methyl-4-nitropyrazol-5-yl)methanone
SMILESCC1CN(C(=O)c2c([N+](=O)[O-])cnn2C)CC(C)O1
InChIInChI=1S/C11H16N4O4/c1-7-5-14(6-8(2)19-7)11(16)10-9(15(17)18)4-12-13(10)3/h4,7-8H,5-6H2,1-3H3
InChIKeyGUAVILGYBYOGLT-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.58
Rot. Bonds2

About (2,6-dimethylmorpholin-4-yl)-(1-methyl-4-nitropyrazol-5-yl)methanone

(2,6-dimethylmorpholin-4-yl)-(1-methyl-4-nitropyrazol-5-yl)methanone (PubChem CID 4112680) has the molecular formula C11H16N4O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is (2,6-dimethylmorpholin-4-yl)-(1-methyl-4-nitropyrazol-5-yl)methanone.

Molecular Properties

Compound Name(2,6-dimethylmorpholin-4-yl)-(1-methyl-4-nitropyrazol-5-yl)methanone
PubChem CID4112680
Molecular FormulaC11H16N4O4
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC Name(2,6-dimethylmorpholin-4-yl)-(1-methyl-4-nitropyrazol-5-yl)methanone
SMILESCC1CN(C(=O)c2c([N+](=O)[O-])cnn2C)CC(C)O1
InChIInChI=1S/C11H16N4O4/c1-7-5-14(6-8(2)19-7)11(16)10-9(15(17)18)4-12-13(10)3/h4,7-8H,5-6H2,1-3H3
InChIKeyGUAVILGYBYOGLT-UHFFFAOYSA-N
XLogP0.58
TPSA90.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 50.58
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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Related Compounds

(2,6-dimethylmorpholin-4-yl)-(4-iodo-1-methylpyrazol-5-yl)methanone
CID 5143812
(2,6-dimethylmorpholin-4-yl)-(1,3-dimethyl-4-nitropyrazol-5-yl)methanone
CID 17020381
[4-(1-adamantyl)piperazin-4-ium-1-yl]-(1-methyl-4-nitropyrazol-5-yl)methanone
CID 7310795
(2-bromo-5-fluoro-3-nitrophenyl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 96536538
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(3,5-dinitrophenyl)methanone
CID 2247674
(2,6-dimethylmorpholin-4-yl)-(2-methyl-3-nitrophenyl)methanone
CID 5198089
1-(2,6-dimethylmorpholin-4-yl)-3-(4-nitropyrazol-1-yl)propan-1-one
CID 4769356
(2-chloro-3-nitrophenyl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 104958547
(3,4-dichloro-5-nitrophenyl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 104958545
(4-bromo-3-nitrophenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 43215243
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(1-methylpyrazol-4-yl)methanone
CID 35294940
(2,6-dimethylmorpholin-4-yl)-(1-methylpyrazol-4-yl)methanone
CID 45147620

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylmorpholin-4-yl)-(1-methyl-4-nitropyrazol-5-yl)methanone?
The IUPAC name of (2,6-dimethylmorpholin-4-yl)-(1-methyl-4-nitropyrazol-5-yl)methanone (CID 4112680) is (2,6-dimethylmorpholin-4-yl)-(1-methyl-4-nitropyrazol-5-yl)methanone.
What is the SMILES notation for (2,6-dimethylmorpholin-4-yl)-(1-methyl-4-nitropyrazol-5-yl)methanone?
The canonical SMILES for (2,6-dimethylmorpholin-4-yl)-(1-methyl-4-nitropyrazol-5-yl)methanone is CC1CN(C(=O)c2c([N+](=O)[O-])cnn2C)CC(C)O1.
What is the InChIKey of (2,6-dimethylmorpholin-4-yl)-(1-methyl-4-nitropyrazol-5-yl)methanone?
The InChIKey is GUAVILGYBYOGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4/c1-7-5-14(6-8(2)19-7)11(16)10-9(15(17)18)4-12-13(10)3/h4,7-8H,5-6H2,1-3H3.
What are the key properties of (2,6-dimethylmorpholin-4-yl)-(1-methyl-4-nitropyrazol-5-yl)methanone?
(2,6-dimethylmorpholin-4-yl)-(1-methyl-4-nitropyrazol-5-yl)methanone has a molecular weight of 268.27 g/mol, XLogP of 0.58, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylmorpholin-4-yl)-(1-methyl-4-nitropyrazol-5-yl)methanone is sourced from PubChem (CID 4112680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).