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

C12H12BrN3O — CID 60865505

IUPAC2-(4-bromopyrazol-1-yl)-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cn2cc(Br)cn2)c1
InChIInChI=1S/C12H12BrN3O/c1-9-3-2-4-11(5-9)15-12(17)8-16-7-10(13)6-14-16/h2-7H,8H2,1H3,(H,15,17)
InChIKeyGARFJZKMROJZNT-UHFFFAOYSA-N
MW294.15 g/mol
LogP2.59
Rot. Bonds3

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

2-(4-bromopyrazol-1-yl)-N-(3-methylphenyl)acetamide (PubChem CID 60865505) has the molecular formula C12H12BrN3O and a molecular weight of 294.15 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-N-(3-methylphenyl)acetamide
PubChem CID60865505
Molecular FormulaC12H12BrN3O
Molecular Weight294.15 g/mol
Exact Mass293.02
IUPAC Name2-(4-bromopyrazol-1-yl)-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cn2cc(Br)cn2)c1
InChIInChI=1S/C12H12BrN3O/c1-9-3-2-4-11(5-9)15-12(17)8-16-7-10(13)6-14-16/h2-7H,8H2,1H3,(H,15,17)
InChIKeyGARFJZKMROJZNT-UHFFFAOYSA-N
XLogP2.59
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 52.59
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-fluoro-4-methylphenyl)acetamide
CID 47263262
ethyl 1-[2-(3-methylanilino)-2-oxoethyl]pyrazole-4-carboxylate
CID 81495449
2-(4-bromopyrazol-1-yl)-N-(4-phenylphenyl)acetamide
CID 19524588
1-[2-(3-bromoanilino)-2-oxoethyl]pyrazole-4-carboxylic acid
CID 43565364
2-(4-bromopyrazol-1-yl)-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]acetamide
CID 19524745
2-[4-(aminomethyl)pyrazol-1-yl]-N-(3-bromophenyl)acetamide
CID 55168361
1-[3-(4-bromopyrazol-1-yl)propyl]-3-(3-methylphenyl)thiourea
CID 17269871
2-(4-bromopyrazol-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 52666291
2-[4-(1-aminoethyl)triazol-1-yl]-N-(3-methylphenyl)acetamide
CID 114419901
2-(5-bromo-6-oxopyrimidin-1-yl)-N-(3-methylphenyl)acetamide
CID 66310621
2-(4-bromopyrazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]acetamide
CID 19524724

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-N-(3-methylphenyl)acetamide (CID 60865505) is 2-(4-bromopyrazol-1-yl)-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)Cn2cc(Br)cn2)c1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-N-(3-methylphenyl)acetamide?
The InChIKey is GARFJZKMROJZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O/c1-9-3-2-4-11(5-9)15-12(17)8-16-7-10(13)6-14-16/h2-7H,8H2,1H3,(H,15,17).
What are the key properties of 2-(4-bromopyrazol-1-yl)-N-(3-methylphenyl)acetamide?
2-(4-bromopyrazol-1-yl)-N-(3-methylphenyl)acetamide has a molecular weight of 294.15 g/mol, XLogP of 2.59, 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-methylphenyl)acetamide is sourced from PubChem (CID 60865505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).