2-(2-bromophenyl)-3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)propanoic acid

C15H16BrClN2O2 — CID 79434068

IUPAC2-(2-bromophenyl)-3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)propanoic acid
SMILESCCn1nc(C)c(Cl)c1CC(C(=O)O)c1ccccc1Br
InChIInChI=1S/C15H16BrClN2O2/c1-3-19-13(14(17)9(2)18-19)8-11(15(20)21)10-6-4-5-7-12(10)16/h4-7,11H,3,8H2,1-2H3,(H,20,21)
InChIKeyXYMDAWOKFHDBDM-UHFFFAOYSA-N
MW371.66 g/mol
LogP4.04
Rot. Bonds5

About 2-(2-bromophenyl)-3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)propanoic acid

2-(2-bromophenyl)-3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)propanoic acid (PubChem CID 79434068) has the molecular formula C15H16BrClN2O2 and a molecular weight of 371.66 g/mol. Its IUPAC name is 2-(2-bromophenyl)-3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)propanoic acid.

Molecular Properties

Compound Name2-(2-bromophenyl)-3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)propanoic acid
PubChem CID79434068
Molecular FormulaC15H16BrClN2O2
Molecular Weight371.66 g/mol
Exact Mass370.01
IUPAC Name2-(2-bromophenyl)-3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)propanoic acid
SMILESCCn1nc(C)c(Cl)c1CC(C(=O)O)c1ccccc1Br
InChIInChI=1S/C15H16BrClN2O2/c1-3-19-13(14(17)9(2)18-19)8-11(15(20)21)10-6-4-5-7-12(10)16/h4-7,11H,3,8H2,1-2H3,(H,20,21)
InChIKeyXYMDAWOKFHDBDM-UHFFFAOYSA-N
XLogP4.04
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.66
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-bromophenyl)-3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)propanoic 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

3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-2-(4-chlorophenyl)propanoic acid
CID 79430519
3-(4-chloro-1,3-dimethylpyrazol-5-yl)-2-(2-chlorophenyl)propanoic acid
CID 79439189
5-[2-(bromomethyl)-3-(2-bromophenyl)propyl]-4-chloro-1-ethyl-3-methylpyrazole
CID 66040753
[1-(3-bromo-2-methylphenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethyl]hydrazine
CID 105317005
1-(3-bromo-2-fluorophenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-N-methylethanamine
CID 107953244
2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3,3-dimethylbutanoic acid
CID 83139088
5-(3-bromo-2-methyl-3-phenylpropyl)-4-chloro-1-ethyl-3-methylpyrazole
CID 104846532
2-(2-bromophenyl)-3-(4-chloro-1,3-diethylpyrazol-5-yl)propan-1-ol
CID 79437383
3-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-2-(3-bromophenyl)propanoic acid
CID 79431391
1-(2-bromo-3-methylphenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-N-methylethanamine
CID 107985122
1-(2-bromo-6-fluorophenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethanamine
CID 114886690
[2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(2,5-dibromophenyl)ethyl]hydrazine
CID 105316977

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)propanoic acid?
The IUPAC name of 2-(2-bromophenyl)-3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)propanoic acid (CID 79434068) is 2-(2-bromophenyl)-3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)propanoic acid.
What is the SMILES notation for 2-(2-bromophenyl)-3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)propanoic acid?
The canonical SMILES for 2-(2-bromophenyl)-3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)propanoic acid is CCn1nc(C)c(Cl)c1CC(C(=O)O)c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)propanoic acid?
The InChIKey is XYMDAWOKFHDBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrClN2O2/c1-3-19-13(14(17)9(2)18-19)8-11(15(20)21)10-6-4-5-7-12(10)16/h4-7,11H,3,8H2,1-2H3,(H,20,21).
What are the key properties of 2-(2-bromophenyl)-3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)propanoic acid?
2-(2-bromophenyl)-3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)propanoic acid has a molecular weight of 371.66 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)propanoic acid is sourced from PubChem (CID 79434068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).