N-(4-bromo-3-methylphenyl)-2-(4-bromopyrazol-1-yl)acetamide

C12H11Br2N3O — CID 47263148

IUPACN-(4-bromo-3-methylphenyl)-2-(4-bromopyrazol-1-yl)acetamide
SMILESCc1cc(NC(=O)Cn2cc(Br)cn2)ccc1Br
InChIInChI=1S/C12H11Br2N3O/c1-8-4-10(2-3-11(8)14)16-12(18)7-17-6-9(13)5-15-17/h2-6H,7H2,1H3,(H,16,18)
InChIKeyMXUMOLKHKBBRQJ-UHFFFAOYSA-N
MW373.05 g/mol
LogP3.36
Rot. Bonds3

About N-(4-bromo-3-methylphenyl)-2-(4-bromopyrazol-1-yl)acetamide

N-(4-bromo-3-methylphenyl)-2-(4-bromopyrazol-1-yl)acetamide (PubChem CID 47263148) has the molecular formula C12H11Br2N3O and a molecular weight of 373.05 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-(4-bromopyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-(4-bromopyrazol-1-yl)acetamide
PubChem CID47263148
Molecular FormulaC12H11Br2N3O
Molecular Weight373.05 g/mol
Exact Mass370.93
IUPAC NameN-(4-bromo-3-methylphenyl)-2-(4-bromopyrazol-1-yl)acetamide
SMILESCc1cc(NC(=O)Cn2cc(Br)cn2)ccc1Br
InChIInChI=1S/C12H11Br2N3O/c1-8-4-10(2-3-11(8)14)16-12(18)7-17-6-9(13)5-15-17/h2-6H,7H2,1H3,(H,16,18)
InChIKeyMXUMOLKHKBBRQJ-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

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CID 47263262
2-(4-bromopyrazol-1-yl)-N-(3-methylphenyl)acetamide
CID 60865505
2-[4-(aminomethyl)triazol-1-yl]-N-(4-bromo-3-methylphenyl)acetamide
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2-(4-bromopyrazol-1-yl)-N-(4-phenylphenyl)acetamide
CID 19524588
2-(4-aminopyrazol-1-yl)-N-(4-bromo-3-iodophenyl)acetamide
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CID 20885240
N-(4-bromo-3-methylphenyl)-2-pyrrolidin-1-ylacetamide
CID 8901793
2-(4-bromopyrazol-1-yl)-N-(4-chloro-3-nitrophenyl)acetamide
CID 47350216
2-(4-bromopyrazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]acetamide
CID 19524724
2-(4-bromopyrazol-1-yl)-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]acetamide
CID 19524745
N-(3-amino-4-methylphenyl)-2-(4-methylpyrazol-1-yl)acetamide
CID 60872125
N-(4-bromo-3-methylphenyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 20892385

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-(4-bromopyrazol-1-yl)acetamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-(4-bromopyrazol-1-yl)acetamide (CID 47263148) is N-(4-bromo-3-methylphenyl)-2-(4-bromopyrazol-1-yl)acetamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-(4-bromopyrazol-1-yl)acetamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-(4-bromopyrazol-1-yl)acetamide is Cc1cc(NC(=O)Cn2cc(Br)cn2)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-(4-bromopyrazol-1-yl)acetamide?
The InChIKey is MXUMOLKHKBBRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br2N3O/c1-8-4-10(2-3-11(8)14)16-12(18)7-17-6-9(13)5-15-17/h2-6H,7H2,1H3,(H,16,18).
What are the key properties of N-(4-bromo-3-methylphenyl)-2-(4-bromopyrazol-1-yl)acetamide?
N-(4-bromo-3-methylphenyl)-2-(4-bromopyrazol-1-yl)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 N-(4-bromo-3-methylphenyl)-2-(4-bromopyrazol-1-yl)acetamide is sourced from PubChem (CID 47263148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).