2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(4-ethoxy-2-nitrophenyl)acetamide

C15H17BrN4O4 — CID 19525497

IUPAC2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(4-ethoxy-2-nitrophenyl)acetamide
SMILESCCOc1ccc(NC(=O)Cn2nc(C)c(Br)c2C)c([N+](=O)[O-])c1
InChIInChI=1S/C15H17BrN4O4/c1-4-24-11-5-6-12(13(7-11)20(22)23)17-14(21)8-19-10(3)15(16)9(2)18-19/h5-7H,4,8H2,1-3H3,(H,17,21)
InChIKeyYQOOLSVNVONPCI-UHFFFAOYSA-N
MW397.23 g/mol
LogP3.21
Rot. Bonds6

About 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(4-ethoxy-2-nitrophenyl)acetamide

2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(4-ethoxy-2-nitrophenyl)acetamide (PubChem CID 19525497) has the molecular formula C15H17BrN4O4 and a molecular weight of 397.23 g/mol. Its IUPAC name is 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(4-ethoxy-2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(4-ethoxy-2-nitrophenyl)acetamide
PubChem CID19525497
Molecular FormulaC15H17BrN4O4
Molecular Weight397.23 g/mol
Exact Mass396.04
IUPAC Name2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(4-ethoxy-2-nitrophenyl)acetamide
SMILESCCOc1ccc(NC(=O)Cn2nc(C)c(Br)c2C)c([N+](=O)[O-])c1
InChIInChI=1S/C15H17BrN4O4/c1-4-24-11-5-6-12(13(7-11)20(22)23)17-14(21)8-19-10(3)15(16)9(2)18-19/h5-7H,4,8H2,1-3H3,(H,17,21)
InChIKeyYQOOLSVNVONPCI-UHFFFAOYSA-N
XLogP3.21
TPSA99.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.23
LogP ≤ 53.21
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

N,N'-bis(4-ethoxy-2-nitrophenyl)hexanediamide
CID 5235455
N-(4-ethoxy-2-nitrophenyl)-3-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 19541775
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-ethoxy-2-nitrophenyl)acetamide
CID 30763526
ethyl N-(4-ethoxy-2-nitrophenyl)carbamate
CID 4110254
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-ethoxy-2-nitrophenyl)propanamide
CID 19532491
3-chloro-N-(4-ethoxy-2-nitrophenyl)propanamide
CID 4644339
N-(4-ethoxy-2-nitrophenyl)pentanamide
CID 4295410
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(4-methoxy-2-nitrophenyl)furan-2-carboxamide
CID 19454747
2-N,6-N-bis(4-ethoxy-2-nitrophenyl)pyridine-2,6-dicarboxamide
CID 4079901
N-(4-ethoxy-2-nitrophenyl)-2-phenoxyacetamide
CID 2876934
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[3-(4-methylphenoxy)-5-nitrophenyl]acetamide
CID 19525531
N-(4-methoxy-2-nitrophenyl)-2-(3-methyl-4-nitropyrazol-1-yl)acetamide
CID 19522119

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(4-ethoxy-2-nitrophenyl)acetamide?
The IUPAC name of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(4-ethoxy-2-nitrophenyl)acetamide (CID 19525497) is 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(4-ethoxy-2-nitrophenyl)acetamide.
What is the SMILES notation for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(4-ethoxy-2-nitrophenyl)acetamide?
The canonical SMILES for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(4-ethoxy-2-nitrophenyl)acetamide is CCOc1ccc(NC(=O)Cn2nc(C)c(Br)c2C)c([N+](=O)[O-])c1.
What is the InChIKey of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(4-ethoxy-2-nitrophenyl)acetamide?
The InChIKey is YQOOLSVNVONPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O4/c1-4-24-11-5-6-12(13(7-11)20(22)23)17-14(21)8-19-10(3)15(16)9(2)18-19/h5-7H,4,8H2,1-3H3,(H,17,21).
What are the key properties of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(4-ethoxy-2-nitrophenyl)acetamide?
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(4-ethoxy-2-nitrophenyl)acetamide has a molecular weight of 397.23 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(4-ethoxy-2-nitrophenyl)acetamide is sourced from PubChem (CID 19525497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).