5-Bromo-3-(4-methoxyphenyl)-1-phenyl-1H-pyrazole

• CAS: 1188038-50-7
• Catalog Number: ACM1188038507
• Category: Bromine Series

Custom Q&A

What is the molecular formula of the compound?

The molecular formula of the compound is C16H13BrN2O.

What are the synonyms for the compound?

The synonyms for the compound are 5-bromo-3-(4-methoxyphenyl)-1-phenyl-1H-pyrazole, 1188038-50-7, 5-bromo-3-(4-methoxyphenyl)-1-phenylpyrazole, SCHEMBL14694239, DTXSID30719113.

What is the molecular weight of the compound?

The molecular weight of the compound is 329.19 g/mol.

When was the compound created and modified?

The compound was created on May 11, 2012, and modified on December 2, 2023.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 5-bromo-3-(4-methoxyphenyl)-1-phenylpyrazole.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C16H13BrN2O/c1-20-14-9-7-12(8-10-14)15-11-16(17)19(18-15)13-5-3-2-4-6-13/h2-11H,1H3.

What is the InChIKey of the compound?

The InChIKey of the compound is QPRYQTHADSDRLW-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is COC1=CC=C(C=C1)C2=NN(C(=C2)Br)C3=CC=CC=C3.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value of the compound is 4.5.

How many hydrogen bond donor counts does the compound have?

The compound has 0 hydrogen bond donor counts.