2-(3-methoxy-4-nitropyrazol-1-yl)-N-(2-nitrophenyl)acetamide

C12H11N5O6 — CID 19516309

IUPAC2-(3-methoxy-4-nitropyrazol-1-yl)-N-(2-nitrophenyl)acetamide
SMILESCOc1nn(CC(=O)Nc2ccccc2[N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C12H11N5O6/c1-23-12-10(17(21)22)6-15(14-12)7-11(18)13-8-4-2-3-5-9(8)16(19)20/h2-6H,7H2,1H3,(H,13,18)
InChIKeyFMLUICRGSWXKKH-UHFFFAOYSA-N
MW321.25 g/mol
LogP1.35
Rot. Bonds6

About 2-(3-methoxy-4-nitropyrazol-1-yl)-N-(2-nitrophenyl)acetamide

2-(3-methoxy-4-nitropyrazol-1-yl)-N-(2-nitrophenyl)acetamide (PubChem CID 19516309) has the molecular formula C12H11N5O6 and a molecular weight of 321.25 g/mol. Its IUPAC name is 2-(3-methoxy-4-nitropyrazol-1-yl)-N-(2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(3-methoxy-4-nitropyrazol-1-yl)-N-(2-nitrophenyl)acetamide
PubChem CID19516309
Molecular FormulaC12H11N5O6
Molecular Weight321.25 g/mol
Exact Mass321.07
IUPAC Name2-(3-methoxy-4-nitropyrazol-1-yl)-N-(2-nitrophenyl)acetamide
SMILESCOc1nn(CC(=O)Nc2ccccc2[N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C12H11N5O6/c1-23-12-10(17(21)22)6-15(14-12)7-11(18)13-8-4-2-3-5-9(8)16(19)20/h2-6H,7H2,1H3,(H,13,18)
InChIKeyFMLUICRGSWXKKH-UHFFFAOYSA-N
XLogP1.35
TPSA142.43 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.25
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-(3-methoxy-4-nitropyrazol-1-yl)-N-(4-methyl-2-nitrophenyl)acetamide
CID 19516200
2-(3-methoxy-4-nitropyrazol-1-yl)-N-(4-methyl-3,5-dinitrophenyl)acetamide
CID 19516344
2-(3-methoxy-4-nitropyrazol-1-yl)-N-propan-2-ylacetamide
CID 19516269
2-(3-methoxy-4-nitropyrazol-1-yl)-N-prop-2-enylacetamide
CID 19516177
N-(4-methoxy-2-nitrophenyl)-2-(3-methyl-4-nitropyrazol-1-yl)acetamide
CID 19522119
2-(3-methoxy-4-nitropyrazol-1-yl)-N-[3-(2-methylphenoxy)-5-nitrophenyl]acetamide
CID 19516294
2-[4-(2-hydroxyethyl)triazol-1-yl]-N-(2-nitrophenyl)acetamide
CID 62399826
2-(3-methoxy-4-nitropyrazol-1-yl)-N-[3-(3-methylphenoxy)-5-nitrophenyl]acetamide
CID 19516282
N,N'-bis(2-nitrophenyl)propanediamide
CID 3819304
4-[[2-(3-methoxy-4-nitropyrazol-1-yl)acetyl]amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
CID 19516421
N-(2-hydroxy-5-nitrophenyl)-3-(3-methoxy-4-nitropyrazol-1-yl)propanamide
CID 19558283
1-ethyl-3-methoxy-4-nitropyrazole
CID 163333241

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-4-nitropyrazol-1-yl)-N-(2-nitrophenyl)acetamide?
The IUPAC name of 2-(3-methoxy-4-nitropyrazol-1-yl)-N-(2-nitrophenyl)acetamide (CID 19516309) is 2-(3-methoxy-4-nitropyrazol-1-yl)-N-(2-nitrophenyl)acetamide.
What is the SMILES notation for 2-(3-methoxy-4-nitropyrazol-1-yl)-N-(2-nitrophenyl)acetamide?
The canonical SMILES for 2-(3-methoxy-4-nitropyrazol-1-yl)-N-(2-nitrophenyl)acetamide is COc1nn(CC(=O)Nc2ccccc2[N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of 2-(3-methoxy-4-nitropyrazol-1-yl)-N-(2-nitrophenyl)acetamide?
The InChIKey is FMLUICRGSWXKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O6/c1-23-12-10(17(21)22)6-15(14-12)7-11(18)13-8-4-2-3-5-9(8)16(19)20/h2-6H,7H2,1H3,(H,13,18).
What are the key properties of 2-(3-methoxy-4-nitropyrazol-1-yl)-N-(2-nitrophenyl)acetamide?
2-(3-methoxy-4-nitropyrazol-1-yl)-N-(2-nitrophenyl)acetamide has a molecular weight of 321.25 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-4-nitropyrazol-1-yl)-N-(2-nitrophenyl)acetamide is sourced from PubChem (CID 19516309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).