4-bromo-3-(3-ethyl-4-methoxyphenyl)-1-methylpyrazole-5-carboxylic acid

C14H15BrN2O3 — CID 116858418

IUPAC4-bromo-3-(3-ethyl-4-methoxyphenyl)-1-methylpyrazole-5-carboxylic acid
SMILESCCc1cc(-c2nn(C)c(C(=O)O)c2Br)ccc1OC
InChIInChI=1S/C14H15BrN2O3/c1-4-8-7-9(5-6-10(8)20-3)12-11(15)13(14(18)19)17(2)16-12/h5-7H,4H2,1-3H3,(H,18,19)
InChIKeyUYSYTRJAUGZXHM-UHFFFAOYSA-N
MW339.19 g/mol
LogP3.12
Rot. Bonds4

About 4-bromo-3-(3-ethyl-4-methoxyphenyl)-1-methylpyrazole-5-carboxylic acid

4-bromo-3-(3-ethyl-4-methoxyphenyl)-1-methylpyrazole-5-carboxylic acid (PubChem CID 116858418) has the molecular formula C14H15BrN2O3 and a molecular weight of 339.19 g/mol. Its IUPAC name is 4-bromo-3-(3-ethyl-4-methoxyphenyl)-1-methylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-bromo-3-(3-ethyl-4-methoxyphenyl)-1-methylpyrazole-5-carboxylic acid
PubChem CID116858418
Molecular FormulaC14H15BrN2O3
Molecular Weight339.19 g/mol
Exact Mass338.03
IUPAC Name4-bromo-3-(3-ethyl-4-methoxyphenyl)-1-methylpyrazole-5-carboxylic acid
SMILESCCc1cc(-c2nn(C)c(C(=O)O)c2Br)ccc1OC
InChIInChI=1S/C14H15BrN2O3/c1-4-8-7-9(5-6-10(8)20-3)12-11(15)13(14(18)19)17(2)16-12/h5-7H,4H2,1-3H3,(H,18,19)
InChIKeyUYSYTRJAUGZXHM-UHFFFAOYSA-N
XLogP3.12
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-bromo-3-(3-ethyl-4-methoxyphenyl)-1-methylpyrazole-5-carboxylic acid 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

4-bromo-3-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole-5-carboxylic acid
CID 116858402
4-bromo-1-methyl-3-(2,4,5-trimethylphenyl)pyrazole-5-carboxylic acid
CID 116858427
4-bromo-3-methoxy-1-methylpyrazole-5-carboxylic acid
CID 83867120
[5-bromo-2-(3-ethyl-4-methoxyphenyl)-1,3-thiazol-4-yl]methanol
CID 84608504
4-(3-ethyl-4-methoxyphenyl)-5-methylthiophene-2-carboxylic acid
CID 94285195
methyl 4-bromo-3-(4-chlorophenyl)-1-methylpyrazole-5-carboxylate
CID 71668549
5-(3-ethyl-4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 82295690
2-[5-(3-ethyl-4-methoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]ethanamine
CID 96665628
3-[3-(3-bromo-4-methoxyphenyl)-1-methylpyrazol-4-yl]propanoic acid
CID 84611915
5-(aminomethyl)-6-(3-bromo-4-methoxyphenyl)-2-methylpyridazin-3-one
CID 84605771
[4-bromo-5-(4-methoxy-3-propan-2-ylphenyl)-2-methylpyrazol-3-yl]methanamine
CID 84611620
[4-(3-ethyl-4-methoxyphenyl)-1-methylpiperidin-4-yl]methanol
CID 82091322

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(3-ethyl-4-methoxyphenyl)-1-methylpyrazole-5-carboxylic acid?
The IUPAC name of 4-bromo-3-(3-ethyl-4-methoxyphenyl)-1-methylpyrazole-5-carboxylic acid (CID 116858418) is 4-bromo-3-(3-ethyl-4-methoxyphenyl)-1-methylpyrazole-5-carboxylic acid.
What is the SMILES notation for 4-bromo-3-(3-ethyl-4-methoxyphenyl)-1-methylpyrazole-5-carboxylic acid?
The canonical SMILES for 4-bromo-3-(3-ethyl-4-methoxyphenyl)-1-methylpyrazole-5-carboxylic acid is CCc1cc(-c2nn(C)c(C(=O)O)c2Br)ccc1OC.
What is the InChIKey of 4-bromo-3-(3-ethyl-4-methoxyphenyl)-1-methylpyrazole-5-carboxylic acid?
The InChIKey is UYSYTRJAUGZXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O3/c1-4-8-7-9(5-6-10(8)20-3)12-11(15)13(14(18)19)17(2)16-12/h5-7H,4H2,1-3H3,(H,18,19).
What are the key properties of 4-bromo-3-(3-ethyl-4-methoxyphenyl)-1-methylpyrazole-5-carboxylic acid?
4-bromo-3-(3-ethyl-4-methoxyphenyl)-1-methylpyrazole-5-carboxylic acid has a molecular weight of 339.19 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(3-ethyl-4-methoxyphenyl)-1-methylpyrazole-5-carboxylic acid is sourced from PubChem (CID 116858418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).