5-bromo-1-[(4-methoxyphenyl)methyl]pyrazole

C11H11BrN2O — CID 84820430

IUPAC5-bromo-1-[(4-methoxyphenyl)methyl]pyrazole
SMILESCOc1ccc(Cn2nccc2Br)cc1
InChIInChI=1S/C11H11BrN2O/c1-15-10-4-2-9(3-5-10)8-14-11(12)6-7-13-14/h2-7H,8H2,1H3
InChIKeyXQHLOSIITDHMDQ-UHFFFAOYSA-N
MW267.13 g/mol
LogP2.70
Rot. Bonds3

About 5-bromo-1-[(4-methoxyphenyl)methyl]pyrazole

5-bromo-1-[(4-methoxyphenyl)methyl]pyrazole (PubChem CID 84820430) has the molecular formula C11H11BrN2O and a molecular weight of 267.13 g/mol. Its IUPAC name is 5-bromo-1-[(4-methoxyphenyl)methyl]pyrazole.

Molecular Properties

Compound Name5-bromo-1-[(4-methoxyphenyl)methyl]pyrazole
PubChem CID84820430
Molecular FormulaC11H11BrN2O
Molecular Weight267.13 g/mol
Exact Mass266.01
IUPAC Name5-bromo-1-[(4-methoxyphenyl)methyl]pyrazole
SMILESCOc1ccc(Cn2nccc2Br)cc1
InChIInChI=1S/C11H11BrN2O/c1-15-10-4-2-9(3-5-10)8-14-11(12)6-7-13-14/h2-7H,8H2,1H3
InChIKeyXQHLOSIITDHMDQ-UHFFFAOYSA-N
XLogP2.70
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-bromo-1-[(4-methoxyphenyl)methyl]pyrazole 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 5-bromo-1-[(4-methoxyphenyl)methyl]pyrazole?
The IUPAC name of 5-bromo-1-[(4-methoxyphenyl)methyl]pyrazole (CID 84820430) is 5-bromo-1-[(4-methoxyphenyl)methyl]pyrazole.
What is the SMILES notation for 5-bromo-1-[(4-methoxyphenyl)methyl]pyrazole?
The canonical SMILES for 5-bromo-1-[(4-methoxyphenyl)methyl]pyrazole is COc1ccc(Cn2nccc2Br)cc1.
What is the InChIKey of 5-bromo-1-[(4-methoxyphenyl)methyl]pyrazole?
The InChIKey is XQHLOSIITDHMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O/c1-15-10-4-2-9(3-5-10)8-14-11(12)6-7-13-14/h2-7H,8H2,1H3.
What are the key properties of 5-bromo-1-[(4-methoxyphenyl)methyl]pyrazole?
5-bromo-1-[(4-methoxyphenyl)methyl]pyrazole has a molecular weight of 267.13 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[(4-methoxyphenyl)methyl]pyrazole is sourced from PubChem (CID 84820430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).