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

C12H10Br2N4O3 — CID 19526405

IUPACN-(2,6-dibromo-4-nitrophenyl)-2-(4-methylpyrazol-1-yl)acetamide
SMILESCc1cnn(CC(=O)Nc2c(Br)cc([N+](=O)[O-])cc2Br)c1
InChIInChI=1S/C12H10Br2N4O3/c1-7-4-15-17(5-7)6-11(19)16-12-9(13)2-8(18(20)21)3-10(12)14/h2-5H,6H2,1H3,(H,16,19)
InChIKeyHFCHLBSVMOULFL-UHFFFAOYSA-N
MW418.05 g/mol
LogP3.26
Rot. Bonds4

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

N-(2,6-dibromo-4-nitrophenyl)-2-(4-methylpyrazol-1-yl)acetamide (PubChem CID 19526405) has the molecular formula C12H10Br2N4O3 and a molecular weight of 418.05 g/mol. Its IUPAC name is N-(2,6-dibromo-4-nitrophenyl)-2-(4-methylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,6-dibromo-4-nitrophenyl)-2-(4-methylpyrazol-1-yl)acetamide
PubChem CID19526405
Molecular FormulaC12H10Br2N4O3
Molecular Weight418.05 g/mol
Exact Mass415.91
IUPAC NameN-(2,6-dibromo-4-nitrophenyl)-2-(4-methylpyrazol-1-yl)acetamide
SMILESCc1cnn(CC(=O)Nc2c(Br)cc([N+](=O)[O-])cc2Br)c1
InChIInChI=1S/C12H10Br2N4O3/c1-7-4-15-17(5-7)6-11(19)16-12-9(13)2-8(18(20)21)3-10(12)14/h2-5H,6H2,1H3,(H,16,19)
InChIKeyHFCHLBSVMOULFL-UHFFFAOYSA-N
XLogP3.26
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.05
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-(2,6-dibromo-4-nitrophenyl)-2-(4-nitropyrazol-1-yl)acetamide
CID 19515910
2-(4-chloropyrazol-1-yl)-N-(2,6-dibromo-4-nitrophenyl)acetamide
CID 19524825
N-(2-chloro-5-nitrophenyl)-2-(4-methylpyrazol-1-yl)acetamide
CID 19526489
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
N-(2,6-dibromo-4-nitrophenyl)-2-(dimethylamino)acetamide
CID 3630388
N-hydroxy-2-(4-nitropyrazol-1-yl)acetamide
CID 131036166
N-(2,6-dibromo-4-nitrophenyl)-2-methylpyrazole-3-carboxamide
CID 19475556
[2-(2,6-dibromo-4-nitroanilino)-2-oxoethyl] propanoate
CID 7851463
N-(2,5-dimethylphenyl)-2-(4-methylpyrazol-1-yl)acetamide
CID 19526490
1-[2-(2,6-dibromo-4-fluoroanilino)-2-oxoethyl]pyrazole-4-carboxylic acid
CID 19502515
N-(2-amino-6-methylphenyl)-2-(4-methylpyrazol-1-yl)acetamide
CID 60872327

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dibromo-4-nitrophenyl)-2-(4-methylpyrazol-1-yl)acetamide?
The IUPAC name of N-(2,6-dibromo-4-nitrophenyl)-2-(4-methylpyrazol-1-yl)acetamide (CID 19526405) is N-(2,6-dibromo-4-nitrophenyl)-2-(4-methylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-(2,6-dibromo-4-nitrophenyl)-2-(4-methylpyrazol-1-yl)acetamide?
The canonical SMILES for N-(2,6-dibromo-4-nitrophenyl)-2-(4-methylpyrazol-1-yl)acetamide is Cc1cnn(CC(=O)Nc2c(Br)cc([N+](=O)[O-])cc2Br)c1.
What is the InChIKey of N-(2,6-dibromo-4-nitrophenyl)-2-(4-methylpyrazol-1-yl)acetamide?
The InChIKey is HFCHLBSVMOULFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2N4O3/c1-7-4-15-17(5-7)6-11(19)16-12-9(13)2-8(18(20)21)3-10(12)14/h2-5H,6H2,1H3,(H,16,19).
What are the key properties of N-(2,6-dibromo-4-nitrophenyl)-2-(4-methylpyrazol-1-yl)acetamide?
N-(2,6-dibromo-4-nitrophenyl)-2-(4-methylpyrazol-1-yl)acetamide has a molecular weight of 418.05 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dibromo-4-nitrophenyl)-2-(4-methylpyrazol-1-yl)acetamide is sourced from PubChem (CID 19526405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).