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

C14H16BrN3O2 — CID 19517134

IUPAC2-(4-bromo-3-methylpyrazol-1-yl)-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)Cn2cc(Br)c(C)n2)cc1
InChIInChI=1S/C14H16BrN3O2/c1-3-20-12-6-4-11(5-7-12)16-14(19)9-18-8-13(15)10(2)17-18/h4-8H,3,9H2,1-2H3,(H,16,19)
InChIKeyLRLMLQGPLUUICE-UHFFFAOYSA-N
MW338.21 g/mol
LogP2.99
Rot. Bonds5

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

2-(4-bromo-3-methylpyrazol-1-yl)-N-(4-ethoxyphenyl)acetamide (PubChem CID 19517134) has the molecular formula C14H16BrN3O2 and a molecular weight of 338.21 g/mol. Its IUPAC name is 2-(4-bromo-3-methylpyrazol-1-yl)-N-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-3-methylpyrazol-1-yl)-N-(4-ethoxyphenyl)acetamide
PubChem CID19517134
Molecular FormulaC14H16BrN3O2
Molecular Weight338.21 g/mol
Exact Mass337.04
IUPAC Name2-(4-bromo-3-methylpyrazol-1-yl)-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)Cn2cc(Br)c(C)n2)cc1
InChIInChI=1S/C14H16BrN3O2/c1-3-20-12-6-4-11(5-7-12)16-14(19)9-18-8-13(15)10(2)17-18/h4-8H,3,9H2,1-2H3,(H,16,19)
InChIKeyLRLMLQGPLUUICE-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-bromo-3-methylpyrazol-1-yl)-N-(4-ethoxyphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-aminopyrazol-1-yl)-N-(4-ethoxyphenyl)acetamide
CID 43445275
N-(4-ethoxyphenyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
CID 39916547
2-(4-bromo-3-nitropyrazol-1-yl)-N-(4-methoxyphenyl)acetamide
CID 1076666
2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]acetamide
CID 19517324
2-[4-[2-(4-ethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 20970562
2-(4-bromo-3-methylpyrazol-1-yl)-N-[3-(4-methylphenoxy)-5-nitrophenyl]acetamide
CID 19517205
N-(4-ethoxyphenyl)-2-[4-(4-methylphenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide
CID 52905928
2-(4-bromo-3-methylpyrazol-1-yl)-N-(1,3-dimethylpyrazol-4-yl)acetamide
CID 19346068
4-bromo-N-(4-ethoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 659584
2-(4-bromo-3-methylpyrazol-1-yl)-N-[3-(2,2-difluoroethoxy)-5-nitrophenyl]acetamide
CID 19517217
N-(4-ethoxyphenyl)-4-[[2-(2-methylimidazol-1-yl)acetyl]amino]benzamide
CID 43055653
2-(4-bromophenyl)-N-(4-ethoxyphenyl)acetamide
CID 2268503

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methylpyrazol-1-yl)-N-(4-ethoxyphenyl)acetamide?
The IUPAC name of 2-(4-bromo-3-methylpyrazol-1-yl)-N-(4-ethoxyphenyl)acetamide (CID 19517134) is 2-(4-bromo-3-methylpyrazol-1-yl)-N-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-bromo-3-methylpyrazol-1-yl)-N-(4-ethoxyphenyl)acetamide?
The canonical SMILES for 2-(4-bromo-3-methylpyrazol-1-yl)-N-(4-ethoxyphenyl)acetamide is CCOc1ccc(NC(=O)Cn2cc(Br)c(C)n2)cc1.
What is the InChIKey of 2-(4-bromo-3-methylpyrazol-1-yl)-N-(4-ethoxyphenyl)acetamide?
The InChIKey is LRLMLQGPLUUICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2/c1-3-20-12-6-4-11(5-7-12)16-14(19)9-18-8-13(15)10(2)17-18/h4-8H,3,9H2,1-2H3,(H,16,19).
What are the key properties of 2-(4-bromo-3-methylpyrazol-1-yl)-N-(4-ethoxyphenyl)acetamide?
2-(4-bromo-3-methylpyrazol-1-yl)-N-(4-ethoxyphenyl)acetamide has a molecular weight of 338.21 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-methylpyrazol-1-yl)-N-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 19517134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).