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

C12H11BrFN3O — CID 47263262

IUPAC2-(4-bromopyrazol-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2cc(Br)cn2)cc1F
InChIInChI=1S/C12H11BrFN3O/c1-8-2-3-10(4-11(8)14)16-12(18)7-17-6-9(13)5-15-17/h2-6H,7H2,1H3,(H,16,18)
InChIKeyVMQHACWYQYXEAC-UHFFFAOYSA-N
MW312.14 g/mol
LogP2.73
Rot. Bonds3

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

2-(4-bromopyrazol-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide (PubChem CID 47263262) has the molecular formula C12H11BrFN3O and a molecular weight of 312.14 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide
PubChem CID47263262
Molecular FormulaC12H11BrFN3O
Molecular Weight312.14 g/mol
Exact Mass311.01
IUPAC Name2-(4-bromopyrazol-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2cc(Br)cn2)cc1F
InChIInChI=1S/C12H11BrFN3O/c1-8-2-3-10(4-11(8)14)16-12(18)7-17-6-9(13)5-15-17/h2-6H,7H2,1H3,(H,16,18)
InChIKeyVMQHACWYQYXEAC-UHFFFAOYSA-N
XLogP2.73
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.14
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-3-methylphenyl)-2-(4-bromopyrazol-1-yl)acetamide
CID 47263148
2-(4-bromopyrazol-1-yl)-N-(3-methylphenyl)acetamide
CID 60865505
2-(4-bromopyrazol-1-yl)-N-(4-phenylphenyl)acetamide
CID 19524588
2-(4-bromopyrazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]acetamide
CID 19524724
2-(3,5-dichloro-1,2,4-triazol-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide
CID 9420730
N-(3-amino-4-methylphenyl)-2-(4-methylpyrazol-1-yl)acetamide
CID 60872125
2-(4-bromopyrazol-1-yl)-N-(4-chloro-3-nitrophenyl)acetamide
CID 47350216
2-(ethylamino)-N-(3-fluoro-4-methylphenyl)acetamide
CID 60641239
2-(4-bromopyrazol-1-yl)-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]acetamide
CID 19524745
N-(3,4-dichlorophenyl)-2-(4-methylpyrazol-1-yl)acetamide
CID 19526409
2-[3-(3-bromophenyl)-6-oxopyridazin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 16800195
N-(3-fluoro-4-methylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9210623

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide (CID 47263262) is 2-(4-bromopyrazol-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide is Cc1ccc(NC(=O)Cn2cc(Br)cn2)cc1F.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide?
The InChIKey is VMQHACWYQYXEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFN3O/c1-8-2-3-10(4-11(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 2-(4-bromopyrazol-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide?
2-(4-bromopyrazol-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide has a molecular weight of 312.14 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopyrazol-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide is sourced from PubChem (CID 47263262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).