(2,6-dimethylmorpholin-4-yl)-(1,3-dimethyl-4-nitropyrazol-5-yl)methanone

C12H18N4O4 — CID 17020381

IUPAC(2,6-dimethylmorpholin-4-yl)-(1,3-dimethyl-4-nitropyrazol-5-yl)methanone
SMILESCc1nn(C)c(C(=O)N2CC(C)OC(C)C2)c1[N+](=O)[O-]
InChIInChI=1S/C12H18N4O4/c1-7-5-15(6-8(2)20-7)12(17)11-10(16(18)19)9(3)13-14(11)4/h7-8H,5-6H2,1-4H3
InChIKeyIMLCAJWCMXCUMS-UHFFFAOYSA-N
MW282.30 g/mol
LogP0.89
Rot. Bonds2

About (2,6-dimethylmorpholin-4-yl)-(1,3-dimethyl-4-nitropyrazol-5-yl)methanone

(2,6-dimethylmorpholin-4-yl)-(1,3-dimethyl-4-nitropyrazol-5-yl)methanone (PubChem CID 17020381) has the molecular formula C12H18N4O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is (2,6-dimethylmorpholin-4-yl)-(1,3-dimethyl-4-nitropyrazol-5-yl)methanone.

Molecular Properties

Compound Name(2,6-dimethylmorpholin-4-yl)-(1,3-dimethyl-4-nitropyrazol-5-yl)methanone
PubChem CID17020381
Molecular FormulaC12H18N4O4
Molecular Weight282.30 g/mol
Exact Mass282.13
IUPAC Name(2,6-dimethylmorpholin-4-yl)-(1,3-dimethyl-4-nitropyrazol-5-yl)methanone
SMILESCc1nn(C)c(C(=O)N2CC(C)OC(C)C2)c1[N+](=O)[O-]
InChIInChI=1S/C12H18N4O4/c1-7-5-15(6-8(2)20-7)12(17)11-10(16(18)19)9(3)13-14(11)4/h7-8H,5-6H2,1-4H3
InChIKeyIMLCAJWCMXCUMS-UHFFFAOYSA-N
XLogP0.89
TPSA90.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.89
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'}

Analyze (2,6-dimethylmorpholin-4-yl)-(1,3-dimethyl-4-nitropyrazol-5-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

Related Compounds

(1,3-dimethyl-4-nitropyrazol-5-yl)-piperidin-1-ylmethanone
CID 20549924
(2,6-dimethylmorpholin-4-yl)-(1-methyl-4-nitropyrazol-5-yl)methanone
CID 4112680
1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethanone
CID 9395553
(1,3-dimethyl-4-nitropyrazol-5-yl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 51389969
(4-amino-1,3-dimethylpyrazol-5-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 79189036
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(3,5-dinitrophenyl)methanone
CID 2247674
(1,3-dimethyl-4-nitropyrazol-5-yl)-[4-(1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]methanone
CID 35758490
2-bromo-1-(1,3-dimethyl-4-nitropyrazol-5-yl)ethanone
CID 45156993
(4-bromo-1,5-dimethylpyrazol-3-yl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 51389776
(2,6-dimethylmorpholin-4-yl)-(4-iodo-1-methylpyrazol-5-yl)methanone
CID 5143812
(4-amino-1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 104961435
(2,6-dimethylmorpholin-4-yl)-(2-methyl-3-nitrophenyl)methanone
CID 5198089

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylmorpholin-4-yl)-(1,3-dimethyl-4-nitropyrazol-5-yl)methanone?
The IUPAC name of (2,6-dimethylmorpholin-4-yl)-(1,3-dimethyl-4-nitropyrazol-5-yl)methanone (CID 17020381) is (2,6-dimethylmorpholin-4-yl)-(1,3-dimethyl-4-nitropyrazol-5-yl)methanone.
What is the SMILES notation for (2,6-dimethylmorpholin-4-yl)-(1,3-dimethyl-4-nitropyrazol-5-yl)methanone?
The canonical SMILES for (2,6-dimethylmorpholin-4-yl)-(1,3-dimethyl-4-nitropyrazol-5-yl)methanone is Cc1nn(C)c(C(=O)N2CC(C)OC(C)C2)c1[N+](=O)[O-].
What is the InChIKey of (2,6-dimethylmorpholin-4-yl)-(1,3-dimethyl-4-nitropyrazol-5-yl)methanone?
The InChIKey is IMLCAJWCMXCUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4/c1-7-5-15(6-8(2)20-7)12(17)11-10(16(18)19)9(3)13-14(11)4/h7-8H,5-6H2,1-4H3.
What are the key properties of (2,6-dimethylmorpholin-4-yl)-(1,3-dimethyl-4-nitropyrazol-5-yl)methanone?
(2,6-dimethylmorpholin-4-yl)-(1,3-dimethyl-4-nitropyrazol-5-yl)methanone has a molecular weight of 282.30 g/mol, XLogP of 0.89, 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)-(1,3-dimethyl-4-nitropyrazol-5-yl)methanone is sourced from PubChem (CID 17020381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).