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

C11H7Br2ClN4O3 — CID 19524825

IUPAC2-(4-chloropyrazol-1-yl)-N-(2,6-dibromo-4-nitrophenyl)acetamide
SMILESO=C(Cn1cc(Cl)cn1)Nc1c(Br)cc([N+](=O)[O-])cc1Br
InChIInChI=1S/C11H7Br2ClN4O3/c12-8-1-7(18(20)21)2-9(13)11(8)16-10(19)5-17-4-6(14)3-15-17/h1-4H,5H2,(H,16,19)
InChIKeyPAZTXKVLGUXGJS-UHFFFAOYSA-N
MW438.46 g/mol
LogP3.61
Rot. Bonds4

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

2-(4-chloropyrazol-1-yl)-N-(2,6-dibromo-4-nitrophenyl)acetamide (PubChem CID 19524825) has the molecular formula C11H7Br2ClN4O3 and a molecular weight of 438.46 g/mol. Its IUPAC name is 2-(4-chloropyrazol-1-yl)-N-(2,6-dibromo-4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(4-chloropyrazol-1-yl)-N-(2,6-dibromo-4-nitrophenyl)acetamide
PubChem CID19524825
Molecular FormulaC11H7Br2ClN4O3
Molecular Weight438.46 g/mol
Exact Mass435.86
IUPAC Name2-(4-chloropyrazol-1-yl)-N-(2,6-dibromo-4-nitrophenyl)acetamide
SMILESO=C(Cn1cc(Cl)cn1)Nc1c(Br)cc([N+](=O)[O-])cc1Br
InChIInChI=1S/C11H7Br2ClN4O3/c12-8-1-7(18(20)21)2-9(13)11(8)16-10(19)5-17-4-6(14)3-15-17/h1-4H,5H2,(H,16,19)
InChIKeyPAZTXKVLGUXGJS-UHFFFAOYSA-N
XLogP3.61
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.46
LogP ≤ 53.61
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
N-(2,6-dibromo-4-nitrophenyl)-2-(4-methylpyrazol-1-yl)acetamide
CID 19526405
2-(4-chloropyrazol-1-yl)-N-[2-(4-nitropyrazol-1-yl)ethyl]acetamide
CID 19281846
N-(2,6-dibromo-4-nitrophenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 19525733
N-hydroxy-2-(4-nitropyrazol-1-yl)acetamide
CID 131036166
N-(2-chloro-5-nitrophenyl)-2-(4-methylpyrazol-1-yl)acetamide
CID 19526489
N-(2,6-dibromo-4-nitrophenyl)-2-(dimethylamino)acetamide
CID 3630388
3-(4-chloropyrazol-1-yl)-N-(3-methoxy-5-nitrophenyl)propanamide
CID 19542075
2-(4-chloropyrazol-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 19393560
1-[2-(2,6-dibromo-4-fluoroanilino)-2-oxoethyl]pyrazole-4-carboxylic acid
CID 19502515
2-(4-bromopyrazol-1-yl)-N-(4-chloro-3-nitrophenyl)acetamide
CID 47350216
N-(4-acetamidophenyl)-2-(4-chloropyrazol-1-yl)acetamide
CID 19524818

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloropyrazol-1-yl)-N-(2,6-dibromo-4-nitrophenyl)acetamide?
The IUPAC name of 2-(4-chloropyrazol-1-yl)-N-(2,6-dibromo-4-nitrophenyl)acetamide (CID 19524825) is 2-(4-chloropyrazol-1-yl)-N-(2,6-dibromo-4-nitrophenyl)acetamide.
What is the SMILES notation for 2-(4-chloropyrazol-1-yl)-N-(2,6-dibromo-4-nitrophenyl)acetamide?
The canonical SMILES for 2-(4-chloropyrazol-1-yl)-N-(2,6-dibromo-4-nitrophenyl)acetamide is O=C(Cn1cc(Cl)cn1)Nc1c(Br)cc([N+](=O)[O-])cc1Br.
What is the InChIKey of 2-(4-chloropyrazol-1-yl)-N-(2,6-dibromo-4-nitrophenyl)acetamide?
The InChIKey is PAZTXKVLGUXGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Br2ClN4O3/c12-8-1-7(18(20)21)2-9(13)11(8)16-10(19)5-17-4-6(14)3-15-17/h1-4H,5H2,(H,16,19).
What are the key properties of 2-(4-chloropyrazol-1-yl)-N-(2,6-dibromo-4-nitrophenyl)acetamide?
2-(4-chloropyrazol-1-yl)-N-(2,6-dibromo-4-nitrophenyl)acetamide has a molecular weight of 438.46 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloropyrazol-1-yl)-N-(2,6-dibromo-4-nitrophenyl)acetamide is sourced from PubChem (CID 19524825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).