4-bromo-5-(4-fluorophenyl)-1-(2-methoxyethyl)-3-methylpyrazole

C13H14BrFN2O — CID 59281521

IUPAC4-bromo-5-(4-fluorophenyl)-1-(2-methoxyethyl)-3-methylpyrazole
SMILESCOCCn1nc(C)c(Br)c1-c1ccc(F)cc1
InChIInChI=1S/C13H14BrFN2O/c1-9-12(14)13(17(16-9)7-8-18-2)10-3-5-11(15)6-4-10/h3-6H,7-8H2,1-2H3
InChIKeyIJHJMAQJGNXYNB-UHFFFAOYSA-N
MW313.17 g/mol
LogP3.41
Rot. Bonds4

About 4-bromo-5-(4-fluorophenyl)-1-(2-methoxyethyl)-3-methylpyrazole

4-bromo-5-(4-fluorophenyl)-1-(2-methoxyethyl)-3-methylpyrazole (PubChem CID 59281521) has the molecular formula C13H14BrFN2O and a molecular weight of 313.17 g/mol. Its IUPAC name is 4-bromo-5-(4-fluorophenyl)-1-(2-methoxyethyl)-3-methylpyrazole.

Molecular Properties

Compound Name4-bromo-5-(4-fluorophenyl)-1-(2-methoxyethyl)-3-methylpyrazole
PubChem CID59281521
Molecular FormulaC13H14BrFN2O
Molecular Weight313.17 g/mol
Exact Mass312.03
IUPAC Name4-bromo-5-(4-fluorophenyl)-1-(2-methoxyethyl)-3-methylpyrazole
SMILESCOCCn1nc(C)c(Br)c1-c1ccc(F)cc1
InChIInChI=1S/C13H14BrFN2O/c1-9-12(14)13(17(16-9)7-8-18-2)10-3-5-11(15)6-4-10/h3-6H,7-8H2,1-2H3
InChIKeyIJHJMAQJGNXYNB-UHFFFAOYSA-N
XLogP3.41
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.17
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-bromo-5-(4-fluorophenyl)-1-(2-methoxyethyl)-3-methylpyrazole 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 4-bromo-5-(4-fluorophenyl)-1-(2-methoxyethyl)-3-methylpyrazole?
The IUPAC name of 4-bromo-5-(4-fluorophenyl)-1-(2-methoxyethyl)-3-methylpyrazole (CID 59281521) is 4-bromo-5-(4-fluorophenyl)-1-(2-methoxyethyl)-3-methylpyrazole.
What is the SMILES notation for 4-bromo-5-(4-fluorophenyl)-1-(2-methoxyethyl)-3-methylpyrazole?
The canonical SMILES for 4-bromo-5-(4-fluorophenyl)-1-(2-methoxyethyl)-3-methylpyrazole is COCCn1nc(C)c(Br)c1-c1ccc(F)cc1.
What is the InChIKey of 4-bromo-5-(4-fluorophenyl)-1-(2-methoxyethyl)-3-methylpyrazole?
The InChIKey is IJHJMAQJGNXYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrFN2O/c1-9-12(14)13(17(16-9)7-8-18-2)10-3-5-11(15)6-4-10/h3-6H,7-8H2,1-2H3.
What are the key properties of 4-bromo-5-(4-fluorophenyl)-1-(2-methoxyethyl)-3-methylpyrazole?
4-bromo-5-(4-fluorophenyl)-1-(2-methoxyethyl)-3-methylpyrazole has a molecular weight of 313.17 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(4-fluorophenyl)-1-(2-methoxyethyl)-3-methylpyrazole is sourced from PubChem (CID 59281521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).