2-(3-methoxy-4-nitropyrazol-1-yl)-N-propan-2-ylacetamide

C9H14N4O4 — CID 19516269

IUPAC2-(3-methoxy-4-nitropyrazol-1-yl)-N-propan-2-ylacetamide
SMILESCOc1nn(CC(=O)NC(C)C)cc1[N+](=O)[O-]
InChIInChI=1S/C9H14N4O4/c1-6(2)10-8(14)5-12-4-7(13(15)16)9(11-12)17-3/h4,6H,5H2,1-3H3,(H,10,14)
InChIKeyRTBUUMMMZVTCPI-UHFFFAOYSA-N
MW242.23 g/mol
LogP0.32
Rot. Bonds5

About 2-(3-methoxy-4-nitropyrazol-1-yl)-N-propan-2-ylacetamide

2-(3-methoxy-4-nitropyrazol-1-yl)-N-propan-2-ylacetamide (PubChem CID 19516269) has the molecular formula C9H14N4O4 and a molecular weight of 242.23 g/mol. Its IUPAC name is 2-(3-methoxy-4-nitropyrazol-1-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(3-methoxy-4-nitropyrazol-1-yl)-N-propan-2-ylacetamide
PubChem CID19516269
Molecular FormulaC9H14N4O4
Molecular Weight242.23 g/mol
Exact Mass242.10
IUPAC Name2-(3-methoxy-4-nitropyrazol-1-yl)-N-propan-2-ylacetamide
SMILESCOc1nn(CC(=O)NC(C)C)cc1[N+](=O)[O-]
InChIInChI=1S/C9H14N4O4/c1-6(2)10-8(14)5-12-4-7(13(15)16)9(11-12)17-3/h4,6H,5H2,1-3H3,(H,10,14)
InChIKeyRTBUUMMMZVTCPI-UHFFFAOYSA-N
XLogP0.32
TPSA99.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 50.32
H-Bond Donors ≤ 51
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

3-(3-methoxy-4-nitropyrazol-1-yl)-N-propan-2-ylpropanamide
CID 19558098
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(3-methoxy-4-nitropyrazol-1-yl)acetamide
CID 19516242
2-(3-methoxy-4-nitropyrazol-1-yl)-N-prop-2-enylacetamide
CID 19516177
2-(3-methoxy-4-nitropyrazol-1-yl)-N-(2-nitrophenyl)acetamide
CID 19516309
2-(3-methoxy-4-nitropyrazol-1-yl)-N-(4-methyl-3,5-dinitrophenyl)acetamide
CID 19516344
2-(3-methoxy-4-nitropyrazol-1-yl)-N-(4-methyl-2-nitrophenyl)acetamide
CID 19516200
1-ethyl-3-methoxy-4-nitropyrazole
CID 163333241
3-(3-methoxy-4-nitropyrazol-1-yl)propanehydrazide
CID 7018447
N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-2-(3-methoxy-4-nitropyrazol-1-yl)acetamide
CID 19516434
3-(3-methoxy-4-nitropyrazol-1-yl)-N-[1-(3-pyrrol-1-ylphenyl)ethyl]propanamide
CID 19558171
2-(3-methoxy-4-nitropyrazol-1-yl)-N-[3-(3-methylphenoxy)-5-nitrophenyl]acetamide
CID 19516282
2-(3-methoxy-4-nitropyrazol-1-yl)-N-octadecylpropanamide
CID 19528152

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-4-nitropyrazol-1-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(3-methoxy-4-nitropyrazol-1-yl)-N-propan-2-ylacetamide (CID 19516269) is 2-(3-methoxy-4-nitropyrazol-1-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(3-methoxy-4-nitropyrazol-1-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(3-methoxy-4-nitropyrazol-1-yl)-N-propan-2-ylacetamide is COc1nn(CC(=O)NC(C)C)cc1[N+](=O)[O-].
What is the InChIKey of 2-(3-methoxy-4-nitropyrazol-1-yl)-N-propan-2-ylacetamide?
The InChIKey is RTBUUMMMZVTCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O4/c1-6(2)10-8(14)5-12-4-7(13(15)16)9(11-12)17-3/h4,6H,5H2,1-3H3,(H,10,14).
What are the key properties of 2-(3-methoxy-4-nitropyrazol-1-yl)-N-propan-2-ylacetamide?
2-(3-methoxy-4-nitropyrazol-1-yl)-N-propan-2-ylacetamide has a molecular weight of 242.23 g/mol, XLogP of 0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-4-nitropyrazol-1-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 19516269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).