2-(4-bromo-5-methylpyrazol-1-yl)-N-(3-methoxyphenyl)acetamide

C13H14BrN3O2 — CID 19517730

IUPAC2-(4-bromo-5-methylpyrazol-1-yl)-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)Cn2ncc(Br)c2C)c1
InChIInChI=1S/C13H14BrN3O2/c1-9-12(14)7-15-17(9)8-13(18)16-10-4-3-5-11(6-10)19-2/h3-7H,8H2,1-2H3,(H,16,18)
InChIKeyRRMGVSUNBXPZLM-UHFFFAOYSA-N
MW324.18 g/mol
LogP2.60
Rot. Bonds4

About 2-(4-bromo-5-methylpyrazol-1-yl)-N-(3-methoxyphenyl)acetamide

2-(4-bromo-5-methylpyrazol-1-yl)-N-(3-methoxyphenyl)acetamide (PubChem CID 19517730) has the molecular formula C13H14BrN3O2 and a molecular weight of 324.18 g/mol. Its IUPAC name is 2-(4-bromo-5-methylpyrazol-1-yl)-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-5-methylpyrazol-1-yl)-N-(3-methoxyphenyl)acetamide
PubChem CID19517730
Molecular FormulaC13H14BrN3O2
Molecular Weight324.18 g/mol
Exact Mass323.03
IUPAC Name2-(4-bromo-5-methylpyrazol-1-yl)-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)Cn2ncc(Br)c2C)c1
InChIInChI=1S/C13H14BrN3O2/c1-9-12(14)7-15-17(9)8-13(18)16-10-4-3-5-11(6-10)19-2/h3-7H,8H2,1-2H3,(H,16,18)
InChIKeyRRMGVSUNBXPZLM-UHFFFAOYSA-N
XLogP2.60
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxyphenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide
CID 53048494
2-(2,5-dimethylpyrrol-1-yl)-N-(3-methoxyphenyl)acetamide
CID 21383169
2-(6-aminoindazol-1-yl)-N-(3-methoxyphenyl)acetamide
CID 22693446
2-(hydroxyamino)-N-(3-methoxyphenyl)acetamide
CID 12611733
2-(2-bromophenyl)sulfanyl-N-(3-methoxyphenyl)acetamide
CID 92513721
N-(3-methoxyphenyl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7665039
2-[2-(5-bromothiophen-2-yl)ethylamino]-N-(3-methoxyphenyl)acetamide
CID 106047194
N-(3,4-dimethylphenyl)-1-[2-(3-methoxyanilino)-2-oxoethyl]-6-oxopyridazine-3-carboxamide
CID 41248044
2-(azocan-1-yl)-N-(3-methoxyphenyl)acetamide
CID 8583685
3-chloro-N-(3-methoxyphenyl)propanamide
CID 2785756
2-(3-amino-1,2,4-triazol-1-yl)-N-(3-methoxyphenyl)acetamide
CID 60911842
2-(4-bromo-5-methylpyrazol-1-yl)-N-[3-(4-chlorophenoxy)-5-nitrophenyl]acetamide
CID 19517803

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-methylpyrazol-1-yl)-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-(4-bromo-5-methylpyrazol-1-yl)-N-(3-methoxyphenyl)acetamide (CID 19517730) is 2-(4-bromo-5-methylpyrazol-1-yl)-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-bromo-5-methylpyrazol-1-yl)-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-(4-bromo-5-methylpyrazol-1-yl)-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)Cn2ncc(Br)c2C)c1.
What is the InChIKey of 2-(4-bromo-5-methylpyrazol-1-yl)-N-(3-methoxyphenyl)acetamide?
The InChIKey is RRMGVSUNBXPZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2/c1-9-12(14)7-15-17(9)8-13(18)16-10-4-3-5-11(6-10)19-2/h3-7H,8H2,1-2H3,(H,16,18).
What are the key properties of 2-(4-bromo-5-methylpyrazol-1-yl)-N-(3-methoxyphenyl)acetamide?
2-(4-bromo-5-methylpyrazol-1-yl)-N-(3-methoxyphenyl)acetamide has a molecular weight of 324.18 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-methylpyrazol-1-yl)-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 19517730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).