2-(4-bromopyrazol-1-yl)-N-(4-chloro-3-nitrophenyl)acetamide

C11H8BrClN4O3 — CID 47350216

IUPAC2-(4-bromopyrazol-1-yl)-N-(4-chloro-3-nitrophenyl)acetamide
SMILESO=C(Cn1cc(Br)cn1)Nc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C11H8BrClN4O3/c12-7-4-14-16(5-7)6-11(18)15-8-1-2-9(13)10(3-8)17(19)20/h1-5H,6H2,(H,15,18)
InChIKeyBWSNICLMDMAIBQ-UHFFFAOYSA-N
MW359.57 g/mol
LogP2.85
Rot. Bonds4

About 2-(4-bromopyrazol-1-yl)-N-(4-chloro-3-nitrophenyl)acetamide

2-(4-bromopyrazol-1-yl)-N-(4-chloro-3-nitrophenyl)acetamide (PubChem CID 47350216) has the molecular formula C11H8BrClN4O3 and a molecular weight of 359.57 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-N-(4-chloro-3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-N-(4-chloro-3-nitrophenyl)acetamide
PubChem CID47350216
Molecular FormulaC11H8BrClN4O3
Molecular Weight359.57 g/mol
Exact Mass357.95
IUPAC Name2-(4-bromopyrazol-1-yl)-N-(4-chloro-3-nitrophenyl)acetamide
SMILESO=C(Cn1cc(Br)cn1)Nc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C11H8BrClN4O3/c12-7-4-14-16(5-7)6-11(18)15-8-1-2-9(13)10(3-8)17(19)20/h1-5H,6H2,(H,15,18)
InChIKeyBWSNICLMDMAIBQ-UHFFFAOYSA-N
XLogP2.85
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.57
LogP ≤ 52.85
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,N'-bis(4-chloro-3-nitrophenyl)butanediamide
CID 3339507
3-(4-bromopyrazol-1-yl)-N-(3,4-dichlorophenyl)propanamide
CID 19561665
N-(4-bromo-3-methylphenyl)-2-(4-bromopyrazol-1-yl)acetamide
CID 47263148
N,N'-bis(4-chloro-3-nitrophenyl)decanediamide
CID 17080083
2-(4-bromopyrazol-1-yl)-N-(3-methylphenyl)acetamide
CID 60865505
2-(4-bromopyrazol-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide
CID 47263262
N-(3-amino-4-chlorophenyl)-3-(4-bromopyrazol-1-yl)propanamide
CID 54909881
N-(4-chloro-3-nitrophenyl)-2-[[4-ethyl-5-(1-ethylpyrazol-4-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 4633856
2-(4-bromopyrazol-1-yl)-N-[1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]acetamide
CID 19524688
2-(4-bromopyrazol-1-yl)-N-(4-phenylphenyl)acetamide
CID 19524588
N-(3,4-dichlorophenyl)-2-(4-methylpyrazol-1-yl)acetamide
CID 19526409
N-(4-chloro-3-nitrophenyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 121064065

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)-N-(4-chloro-3-nitrophenyl)acetamide?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-N-(4-chloro-3-nitrophenyl)acetamide (CID 47350216) is 2-(4-bromopyrazol-1-yl)-N-(4-chloro-3-nitrophenyl)acetamide.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-N-(4-chloro-3-nitrophenyl)acetamide?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-N-(4-chloro-3-nitrophenyl)acetamide is O=C(Cn1cc(Br)cn1)Nc1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-N-(4-chloro-3-nitrophenyl)acetamide?
The InChIKey is BWSNICLMDMAIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClN4O3/c12-7-4-14-16(5-7)6-11(18)15-8-1-2-9(13)10(3-8)17(19)20/h1-5H,6H2,(H,15,18).
What are the key properties of 2-(4-bromopyrazol-1-yl)-N-(4-chloro-3-nitrophenyl)acetamide?
2-(4-bromopyrazol-1-yl)-N-(4-chloro-3-nitrophenyl)acetamide has a molecular weight of 359.57 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopyrazol-1-yl)-N-(4-chloro-3-nitrophenyl)acetamide is sourced from PubChem (CID 47350216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).