2-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-morpholin-4-ylpropan-1-one

C12H18N4O4 — CID 2983582

IUPAC2-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-morpholin-4-ylpropan-1-one
SMILESCc1nn(C(C)C(=O)N2CCOCC2)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C12H18N4O4/c1-8-11(16(18)19)9(2)15(13-8)10(3)12(17)14-4-6-20-7-5-14/h10H,4-7H2,1-3H3
InChIKeyKDGBJCLELRPNNQ-UHFFFAOYSA-N
MW282.30 g/mol
LogP0.83
Rot. Bonds3

About 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-morpholin-4-ylpropan-1-one

2-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-morpholin-4-ylpropan-1-one (PubChem CID 2983582) has the molecular formula C12H18N4O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-morpholin-4-ylpropan-1-one
PubChem CID2983582
Molecular FormulaC12H18N4O4
Molecular Weight282.30 g/mol
Exact Mass282.13
IUPAC Name2-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-morpholin-4-ylpropan-1-one
SMILESCc1nn(C(C)C(=O)N2CCOCC2)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C12H18N4O4/c1-8-11(16(18)19)9(2)15(13-8)10(3)12(17)14-4-6-20-7-5-14/h10H,4-7H2,1-3H3
InChIKeyKDGBJCLELRPNNQ-UHFFFAOYSA-N
XLogP0.83
TPSA90.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.83
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-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-morpholin-4-ylpropan-1-one 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

Ethyl (3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetate
CID 707586
2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(tetrahydro-2-furanylmethyl)propanamide
CID 2984724
2-(5-Methyl-3,4-dinitropyrazol-1-yl)-1-morpholin-4-ylethanone
CID 2860602
2-(3,5-Dimethyl-4-nitro-pyrazol-1-yl)-N-(3-morpholin-4-yl-propyl)-acetamide
CID 3145049
4-({4-nitro-3,5-dimethyl-1H-pyrazol-1-yl}acetyl)morpholine
CID 749623
2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-isopropylacetamide
CID 1258999
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2-methoxyethyl)acetamide
CID 1720543
Methyl 2-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]amino]acetate
CID 2077906
2-(3,5-Dimethyl-4-nitro-pyrazol-1-yl)-N-(2-morpholin-4-yl-ethyl)-acetamide
CID 749080
[2-Methyl-5-(morpholine-4-carbonyl)-4-nitro-2H-pyrazol-3-yl]-morpholin-4-yl-methanone
CID 1548426
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 2860085
2-[2-[(dimethylamino)methyl]morpholin-4-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 53605725

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-morpholin-4-ylpropan-1-one (CID 2983582) is 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-morpholin-4-ylpropan-1-one is Cc1nn(C(C)C(=O)N2CCOCC2)c(C)c1[N+](=O)[O-].
What is the InChIKey of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-morpholin-4-ylpropan-1-one?
The InChIKey is KDGBJCLELRPNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4/c1-8-11(16(18)19)9(2)15(13-8)10(3)12(17)14-4-6-20-7-5-14/h10H,4-7H2,1-3H3.
What are the key properties of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-morpholin-4-ylpropan-1-one?
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-morpholin-4-ylpropan-1-one has a molecular weight of 282.30 g/mol, XLogP of 0.83, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 2983582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).