N-(2,6-dibromo-4-nitrophenyl)-2-(4-nitropyrazol-1-yl)acetamide

C11H7Br2N5O5 — CID 19515910

IUPACN-(2,6-dibromo-4-nitrophenyl)-2-(4-nitropyrazol-1-yl)acetamide
SMILESO=C(Cn1cc([N+](=O)[O-])cn1)Nc1c(Br)cc([N+](=O)[O-])cc1Br
InChIInChI=1S/C11H7Br2N5O5/c12-8-1-6(17(20)21)2-9(13)11(8)15-10(19)5-16-4-7(3-14-16)18(22)23/h1-4H,5H2,(H,15,19)
InChIKeyGAYOMXLHBYNWGR-UHFFFAOYSA-N
MW449.02 g/mol
LogP2.86
Rot. Bonds5

About N-(2,6-dibromo-4-nitrophenyl)-2-(4-nitropyrazol-1-yl)acetamide

N-(2,6-dibromo-4-nitrophenyl)-2-(4-nitropyrazol-1-yl)acetamide (PubChem CID 19515910) has the molecular formula C11H7Br2N5O5 and a molecular weight of 449.02 g/mol. Its IUPAC name is N-(2,6-dibromo-4-nitrophenyl)-2-(4-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,6-dibromo-4-nitrophenyl)-2-(4-nitropyrazol-1-yl)acetamide
PubChem CID19515910
Molecular FormulaC11H7Br2N5O5
Molecular Weight449.02 g/mol
Exact Mass446.88
IUPAC NameN-(2,6-dibromo-4-nitrophenyl)-2-(4-nitropyrazol-1-yl)acetamide
SMILESO=C(Cn1cc([N+](=O)[O-])cn1)Nc1c(Br)cc([N+](=O)[O-])cc1Br
InChIInChI=1S/C11H7Br2N5O5/c12-8-1-6(17(20)21)2-9(13)11(8)15-10(19)5-16-4-7(3-14-16)18(22)23/h1-4H,5H2,(H,15,19)
InChIKeyGAYOMXLHBYNWGR-UHFFFAOYSA-N
XLogP2.86
TPSA133.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.02
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-(4-chloropyrazol-1-yl)-N-(2,6-dibromo-4-nitrophenyl)acetamide
CID 19524825
N-(2,6-dibromo-4-nitrophenyl)-2-(4-methylpyrazol-1-yl)acetamide
CID 19526405
N-hydroxy-2-(4-nitropyrazol-1-yl)acetamide
CID 131036166
N-(2,6-dibromo-4-nitrophenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 19525733
N-(4-methylphenyl)-2-(4-nitropyrazol-1-yl)acetamide
CID 19579263
2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]acetamide
CID 60733166
3-hydroxy-2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]propanoic acid
CID 43357618
2-(4-nitropyrazol-1-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide
CID 115592981
4-[[2-(4-nitropyrazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid
CID 63649872
N-(2,6-dibromo-4-nitrophenyl)-2-(dimethylamino)acetamide
CID 3630388
N-butyl-2-(4-nitropyrazol-1-yl)acetamide
CID 4599533
N-[3-(2,2-difluoroethoxy)-5-nitrophenyl]-2-(4-nitropyrazol-1-yl)acetamide
CID 19515992

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dibromo-4-nitrophenyl)-2-(4-nitropyrazol-1-yl)acetamide?
The IUPAC name of N-(2,6-dibromo-4-nitrophenyl)-2-(4-nitropyrazol-1-yl)acetamide (CID 19515910) is N-(2,6-dibromo-4-nitrophenyl)-2-(4-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for N-(2,6-dibromo-4-nitrophenyl)-2-(4-nitropyrazol-1-yl)acetamide?
The canonical SMILES for N-(2,6-dibromo-4-nitrophenyl)-2-(4-nitropyrazol-1-yl)acetamide is O=C(Cn1cc([N+](=O)[O-])cn1)Nc1c(Br)cc([N+](=O)[O-])cc1Br.
What is the InChIKey of N-(2,6-dibromo-4-nitrophenyl)-2-(4-nitropyrazol-1-yl)acetamide?
The InChIKey is GAYOMXLHBYNWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Br2N5O5/c12-8-1-6(17(20)21)2-9(13)11(8)15-10(19)5-16-4-7(3-14-16)18(22)23/h1-4H,5H2,(H,15,19).
What are the key properties of N-(2,6-dibromo-4-nitrophenyl)-2-(4-nitropyrazol-1-yl)acetamide?
N-(2,6-dibromo-4-nitrophenyl)-2-(4-nitropyrazol-1-yl)acetamide has a molecular weight of 449.02 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dibromo-4-nitrophenyl)-2-(4-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 19515910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).