3-(5-bromo-2-methoxyphenyl)-1-phenylpyrazole

C16H13BrN2O — CID 155516819

IUPAC3-(5-bromo-2-methoxyphenyl)-1-phenylpyrazole
SMILESCOc1ccc(Br)cc1-c1ccn(-c2ccccc2)n1
InChIInChI=1S/C16H13BrN2O/c1-20-16-8-7-12(17)11-14(16)15-9-10-19(18-15)13-5-3-2-4-6-13/h2-11H,1H3
InChIKeyITKXCDSZDOEVBK-UHFFFAOYSA-N
MW329.20 g/mol
LogP4.31
Rot. Bonds3

About 3-(5-bromo-2-methoxyphenyl)-1-phenylpyrazole

3-(5-bromo-2-methoxyphenyl)-1-phenylpyrazole (PubChem CID 155516819) has the molecular formula C16H13BrN2O and a molecular weight of 329.20 g/mol. Its IUPAC name is 3-(5-bromo-2-methoxyphenyl)-1-phenylpyrazole.

Molecular Properties

Compound Name3-(5-bromo-2-methoxyphenyl)-1-phenylpyrazole
PubChem CID155516819
Molecular FormulaC16H13BrN2O
Molecular Weight329.20 g/mol
Exact Mass328.02
IUPAC Name3-(5-bromo-2-methoxyphenyl)-1-phenylpyrazole
SMILESCOc1ccc(Br)cc1-c1ccn(-c2ccccc2)n1
InChIInChI=1S/C16H13BrN2O/c1-20-16-8-7-12(17)11-14(16)15-9-10-19(18-15)13-5-3-2-4-6-13/h2-11H,1H3
InChIKeyITKXCDSZDOEVBK-UHFFFAOYSA-N
XLogP4.31
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.20
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(5-bromo-2-methoxyphenyl)-1-phenylpyrazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-methoxyphenyl)-1-phenylpyrazole?
The IUPAC name of 3-(5-bromo-2-methoxyphenyl)-1-phenylpyrazole (CID 155516819) is 3-(5-bromo-2-methoxyphenyl)-1-phenylpyrazole.
What is the SMILES notation for 3-(5-bromo-2-methoxyphenyl)-1-phenylpyrazole?
The canonical SMILES for 3-(5-bromo-2-methoxyphenyl)-1-phenylpyrazole is COc1ccc(Br)cc1-c1ccn(-c2ccccc2)n1.
What is the InChIKey of 3-(5-bromo-2-methoxyphenyl)-1-phenylpyrazole?
The InChIKey is ITKXCDSZDOEVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O/c1-20-16-8-7-12(17)11-14(16)15-9-10-19(18-15)13-5-3-2-4-6-13/h2-11H,1H3.
What are the key properties of 3-(5-bromo-2-methoxyphenyl)-1-phenylpyrazole?
3-(5-bromo-2-methoxyphenyl)-1-phenylpyrazole has a molecular weight of 329.20 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-methoxyphenyl)-1-phenylpyrazole is sourced from PubChem (CID 155516819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).