3-(2,6-dibromophenyl)-5-(4-fluorophenyl)-1-methoxypyrazole

C16H11Br2FN2O — CID 174880238

IUPAC3-(2,6-dibromophenyl)-5-(4-fluorophenyl)-1-methoxypyrazole
SMILESCOn1nc(-c2c(Br)cccc2Br)cc1-c1ccc(F)cc1
InChIInChI=1S/C16H11Br2FN2O/c1-22-21-15(10-5-7-11(19)8-6-10)9-14(20-21)16-12(17)3-2-4-13(16)18/h2-9H,1H3
InChIKeyZITCTJMWXMJCKJ-UHFFFAOYSA-N
MW426.08 g/mol
LogP4.94
Rot. Bonds3

About 3-(2,6-dibromophenyl)-5-(4-fluorophenyl)-1-methoxypyrazole

3-(2,6-dibromophenyl)-5-(4-fluorophenyl)-1-methoxypyrazole (PubChem CID 174880238) has the molecular formula C16H11Br2FN2O and a molecular weight of 426.08 g/mol. Its IUPAC name is 3-(2,6-dibromophenyl)-5-(4-fluorophenyl)-1-methoxypyrazole.

Molecular Properties

Compound Name3-(2,6-dibromophenyl)-5-(4-fluorophenyl)-1-methoxypyrazole
PubChem CID174880238
Molecular FormulaC16H11Br2FN2O
Molecular Weight426.08 g/mol
Exact Mass423.92
IUPAC Name3-(2,6-dibromophenyl)-5-(4-fluorophenyl)-1-methoxypyrazole
SMILESCOn1nc(-c2c(Br)cccc2Br)cc1-c1ccc(F)cc1
InChIInChI=1S/C16H11Br2FN2O/c1-22-21-15(10-5-7-11(19)8-6-10)9-14(20-21)16-12(17)3-2-4-13(16)18/h2-9H,1H3
InChIKeyZITCTJMWXMJCKJ-UHFFFAOYSA-N
XLogP4.94
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.08
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dibromophenyl)-5-(4-fluorophenyl)-1-methoxypyrazole?
The IUPAC name of 3-(2,6-dibromophenyl)-5-(4-fluorophenyl)-1-methoxypyrazole (CID 174880238) is 3-(2,6-dibromophenyl)-5-(4-fluorophenyl)-1-methoxypyrazole.
What is the SMILES notation for 3-(2,6-dibromophenyl)-5-(4-fluorophenyl)-1-methoxypyrazole?
The canonical SMILES for 3-(2,6-dibromophenyl)-5-(4-fluorophenyl)-1-methoxypyrazole is COn1nc(-c2c(Br)cccc2Br)cc1-c1ccc(F)cc1.
What is the InChIKey of 3-(2,6-dibromophenyl)-5-(4-fluorophenyl)-1-methoxypyrazole?
The InChIKey is ZITCTJMWXMJCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Br2FN2O/c1-22-21-15(10-5-7-11(19)8-6-10)9-14(20-21)16-12(17)3-2-4-13(16)18/h2-9H,1H3.
What are the key properties of 3-(2,6-dibromophenyl)-5-(4-fluorophenyl)-1-methoxypyrazole?
3-(2,6-dibromophenyl)-5-(4-fluorophenyl)-1-methoxypyrazole has a molecular weight of 426.08 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dibromophenyl)-5-(4-fluorophenyl)-1-methoxypyrazole is sourced from PubChem (CID 174880238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).