N-[(3-bromo-5-methoxyphenyl)methyl]-2-(3-methylpyrazol-1-yl)acetamide

C14H16BrN3O2 — CID 138024351

IUPACN-[(3-bromo-5-methoxyphenyl)methyl]-2-(3-methylpyrazol-1-yl)acetamide
SMILESCOc1cc(Br)cc(CNC(=O)Cn2ccc(C)n2)c1
InChIInChI=1S/C14H16BrN3O2/c1-10-3-4-18(17-10)9-14(19)16-8-11-5-12(15)7-13(6-11)20-2/h3-7H,8-9H2,1-2H3,(H,16,19)
InChIKeyHDURDXSTHONZJP-UHFFFAOYSA-N
MW338.21 g/mol
LogP2.28
Rot. Bonds5

About N-[(3-bromo-5-methoxyphenyl)methyl]-2-(3-methylpyrazol-1-yl)acetamide

N-[(3-bromo-5-methoxyphenyl)methyl]-2-(3-methylpyrazol-1-yl)acetamide (PubChem CID 138024351) has the molecular formula C14H16BrN3O2 and a molecular weight of 338.21 g/mol. Its IUPAC name is N-[(3-bromo-5-methoxyphenyl)methyl]-2-(3-methylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3-bromo-5-methoxyphenyl)methyl]-2-(3-methylpyrazol-1-yl)acetamide
PubChem CID138024351
Molecular FormulaC14H16BrN3O2
Molecular Weight338.21 g/mol
Exact Mass337.04
IUPAC NameN-[(3-bromo-5-methoxyphenyl)methyl]-2-(3-methylpyrazol-1-yl)acetamide
SMILESCOc1cc(Br)cc(CNC(=O)Cn2ccc(C)n2)c1
InChIInChI=1S/C14H16BrN3O2/c1-10-3-4-18(17-10)9-14(19)16-8-11-5-12(15)7-13(6-11)20-2/h3-7H,8-9H2,1-2H3,(H,16,19)
InChIKeyHDURDXSTHONZJP-UHFFFAOYSA-N
XLogP2.28
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-bromo-5-methoxyphenyl)methyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 138024373
N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-(3-methylpyrazol-1-yl)acetamide
CID 19328913
N-[(3-bromo-5-methoxyphenyl)methyl]-2-(1-hydroxycyclopentyl)acetamide
CID 138024366
N-[(3-bromo-5-methoxyphenyl)methyl]-1,4-dimethylpyrazole-5-carboxamide
CID 138024349
N-[(3-methoxyphenyl)methyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 78780331
N-[(3-methoxyphenyl)methyl]-3-(3-methylpyrazol-1-yl)butanamide
CID 46339681
(3,5-dimethoxyphenyl)methylcarbamic acid
CID 67370524
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-(3-methylpyrazol-1-yl)acetamide
CID 19516982
N-[(3-bromophenyl)methyl]-2-(5-methoxyindol-1-yl)acetamide
CID 55718467
N-[(3-bromophenyl)methyl]-2-[7-(4-methoxyphenyl)-5-methyl-3-oxo-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl]acetamide
CID 51369857
N-benzyl-2-[4-(3,5-dimethoxyphenyl)triazol-1-yl]acetamide
CID 122193651
2-(4-aminopyrazol-1-yl)-N-(3-bromo-5-methoxyphenyl)acetamide
CID 82857864

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-5-methoxyphenyl)methyl]-2-(3-methylpyrazol-1-yl)acetamide?
The IUPAC name of N-[(3-bromo-5-methoxyphenyl)methyl]-2-(3-methylpyrazol-1-yl)acetamide (CID 138024351) is N-[(3-bromo-5-methoxyphenyl)methyl]-2-(3-methylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[(3-bromo-5-methoxyphenyl)methyl]-2-(3-methylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[(3-bromo-5-methoxyphenyl)methyl]-2-(3-methylpyrazol-1-yl)acetamide is COc1cc(Br)cc(CNC(=O)Cn2ccc(C)n2)c1.
What is the InChIKey of N-[(3-bromo-5-methoxyphenyl)methyl]-2-(3-methylpyrazol-1-yl)acetamide?
The InChIKey is HDURDXSTHONZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2/c1-10-3-4-18(17-10)9-14(19)16-8-11-5-12(15)7-13(6-11)20-2/h3-7H,8-9H2,1-2H3,(H,16,19).
What are the key properties of N-[(3-bromo-5-methoxyphenyl)methyl]-2-(3-methylpyrazol-1-yl)acetamide?
N-[(3-bromo-5-methoxyphenyl)methyl]-2-(3-methylpyrazol-1-yl)acetamide has a molecular weight of 338.21 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-5-methoxyphenyl)methyl]-2-(3-methylpyrazol-1-yl)acetamide is sourced from PubChem (CID 138024351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).