2-(4-bromo-3-nitropyrazol-1-yl)-N-(4-methoxyphenyl)acetamide

C12H11BrN4O4 — CID 1076666

IUPAC2-(4-bromo-3-nitropyrazol-1-yl)-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2cc(Br)c([N+](=O)[O-])n2)cc1
InChIInChI=1S/C12H11BrN4O4/c1-21-9-4-2-8(3-5-9)14-11(18)7-16-6-10(13)12(15-16)17(19)20/h2-6H,7H2,1H3,(H,14,18)
InChIKeyYHWAHRZGLQWYRE-UHFFFAOYSA-N
MW355.15 g/mol
LogP2.20
Rot. Bonds5

About 2-(4-bromo-3-nitropyrazol-1-yl)-N-(4-methoxyphenyl)acetamide

2-(4-bromo-3-nitropyrazol-1-yl)-N-(4-methoxyphenyl)acetamide (PubChem CID 1076666) has the molecular formula C12H11BrN4O4 and a molecular weight of 355.15 g/mol. Its IUPAC name is 2-(4-bromo-3-nitropyrazol-1-yl)-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-3-nitropyrazol-1-yl)-N-(4-methoxyphenyl)acetamide
PubChem CID1076666
Molecular FormulaC12H11BrN4O4
Molecular Weight355.15 g/mol
Exact Mass354.00
IUPAC Name2-(4-bromo-3-nitropyrazol-1-yl)-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2cc(Br)c([N+](=O)[O-])n2)cc1
InChIInChI=1S/C12H11BrN4O4/c1-21-9-4-2-8(3-5-9)14-11(18)7-16-6-10(13)12(15-16)17(19)20/h2-6H,7H2,1H3,(H,14,18)
InChIKeyYHWAHRZGLQWYRE-UHFFFAOYSA-N
XLogP2.20
TPSA99.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.15
LogP ≤ 52.20
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

methyl 2-(4-bromo-3-nitropyrazol-1-yl)acetate
CID 61176234
2-(4-bromo-3-nitropyrazol-1-yl)-N-propylacetamide
CID 47061723
2-(4-bromo-3-methylpyrazol-1-yl)-N-(4-ethoxyphenyl)acetamide
CID 19517134
2-(3-amino-1,2,4-triazol-1-yl)-N-(4-methoxyphenyl)acetamide
CID 60911192
2-(3-aminopyrazol-1-yl)-N-(4-methoxyphenyl)acetamide
CID 55024845
2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(4-methoxyphenyl)acetamide
CID 80742697
2-[1-[2-(4-methoxyanilino)-2-oxoethyl]triazol-4-yl]acetic acid
CID 107461336
N-(4-methoxyphenyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide
CID 2966638
2-(4-bromo-3-methylpyrazol-1-yl)-N-[3-(4-methylphenoxy)-5-nitrophenyl]acetamide
CID 19517205
4-bromo-1-ethyl-N-(4-methoxyphenyl)pyrazole-3-carboxamide
CID 973635
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)acetamide
CID 15943425
2-(4-bromo-3-nitropyrazol-1-yl)-1-(1-methylpyrrol-3-yl)ethanone
CID 61059738

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-nitropyrazol-1-yl)-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-(4-bromo-3-nitropyrazol-1-yl)-N-(4-methoxyphenyl)acetamide (CID 1076666) is 2-(4-bromo-3-nitropyrazol-1-yl)-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-bromo-3-nitropyrazol-1-yl)-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-(4-bromo-3-nitropyrazol-1-yl)-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)Cn2cc(Br)c([N+](=O)[O-])n2)cc1.
What is the InChIKey of 2-(4-bromo-3-nitropyrazol-1-yl)-N-(4-methoxyphenyl)acetamide?
The InChIKey is YHWAHRZGLQWYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN4O4/c1-21-9-4-2-8(3-5-9)14-11(18)7-16-6-10(13)12(15-16)17(19)20/h2-6H,7H2,1H3,(H,14,18).
What are the key properties of 2-(4-bromo-3-nitropyrazol-1-yl)-N-(4-methoxyphenyl)acetamide?
2-(4-bromo-3-nitropyrazol-1-yl)-N-(4-methoxyphenyl)acetamide has a molecular weight of 355.15 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-nitropyrazol-1-yl)-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 1076666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).