2-(3,5-dibromopyrazol-1-yl)-N-(4-methylphenyl)acetamide

C12H11Br2N3O — CID 114692612

IUPAC2-(3,5-dibromopyrazol-1-yl)-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2nc(Br)cc2Br)cc1
InChIInChI=1S/C12H11Br2N3O/c1-8-2-4-9(5-3-8)15-12(18)7-17-11(14)6-10(13)16-17/h2-6H,7H2,1H3,(H,15,18)
InChIKeyUPAQUICLCGVKSI-UHFFFAOYSA-N
MW373.05 g/mol
LogP3.36
Rot. Bonds3

About 2-(3,5-dibromopyrazol-1-yl)-N-(4-methylphenyl)acetamide

2-(3,5-dibromopyrazol-1-yl)-N-(4-methylphenyl)acetamide (PubChem CID 114692612) has the molecular formula C12H11Br2N3O and a molecular weight of 373.05 g/mol. Its IUPAC name is 2-(3,5-dibromopyrazol-1-yl)-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dibromopyrazol-1-yl)-N-(4-methylphenyl)acetamide
PubChem CID114692612
Molecular FormulaC12H11Br2N3O
Molecular Weight373.05 g/mol
Exact Mass370.93
IUPAC Name2-(3,5-dibromopyrazol-1-yl)-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2nc(Br)cc2Br)cc1
InChIInChI=1S/C12H11Br2N3O/c1-8-2-4-9(5-3-8)15-12(18)7-17-11(14)6-10(13)16-17/h2-6H,7H2,1H3,(H,15,18)
InChIKeyUPAQUICLCGVKSI-UHFFFAOYSA-N
XLogP3.36
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.05
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(4-methylphenyl)acetamide
CID 122278467
2-(3-amino-1,2,4-triazol-1-yl)-N-(4-methylphenyl)acetamide
CID 60911455
2-bromo-N-(4-methylphenyl)acetamide;ethane
CID 143583882
2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(4-methylphenyl)acetamide
CID 90517737
2-(2,6-dimethyl-3,5-dioxothiomorpholin-4-yl)-N-(4-methylphenyl)acetamide
CID 3272624
1-[2-(4-chloroanilino)-2-oxoethyl]-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 41247819
5-amino-1-[2-(4-methylanilino)-2-oxoethyl]-N-(4-methylphenyl)triazole-4-carboxamide
CID 2135667
2-(4-amino-3,5-dimethyl-1,2,4-triazol-4-ium-1-yl)-N-(4-bromophenyl)acetamide
CID 2329814
1-[2-(4-fluoroanilino)-2-oxoethyl]-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 26845085
N-(3-methylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7662380
N-(4-methylphenyl)-2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7671928
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)acetamide
CID 15943425

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dibromopyrazol-1-yl)-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-(3,5-dibromopyrazol-1-yl)-N-(4-methylphenyl)acetamide (CID 114692612) is 2-(3,5-dibromopyrazol-1-yl)-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-(3,5-dibromopyrazol-1-yl)-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-(3,5-dibromopyrazol-1-yl)-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)Cn2nc(Br)cc2Br)cc1.
What is the InChIKey of 2-(3,5-dibromopyrazol-1-yl)-N-(4-methylphenyl)acetamide?
The InChIKey is UPAQUICLCGVKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br2N3O/c1-8-2-4-9(5-3-8)15-12(18)7-17-11(14)6-10(13)16-17/h2-6H,7H2,1H3,(H,15,18).
What are the key properties of 2-(3,5-dibromopyrazol-1-yl)-N-(4-methylphenyl)acetamide?
2-(3,5-dibromopyrazol-1-yl)-N-(4-methylphenyl)acetamide has a molecular weight of 373.05 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dibromopyrazol-1-yl)-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 114692612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).