5-(4-bromo-2-fluorophenoxy)-1,3-dimethylpyrazole

C11H10BrFN2O — CID 172552718

IUPAC5-(4-bromo-2-fluorophenoxy)-1,3-dimethylpyrazole
SMILESCc1cc(Oc2ccc(Br)cc2F)n(C)n1
InChIInChI=1S/C11H10BrFN2O/c1-7-5-11(15(2)14-7)16-10-4-3-8(12)6-9(10)13/h3-6H,1-2H3
InChIKeyNVGYSKDAAPFZGJ-UHFFFAOYSA-N
MW285.12 g/mol
LogP3.42
Rot. Bonds2

About 5-(4-bromo-2-fluorophenoxy)-1,3-dimethylpyrazole

5-(4-bromo-2-fluorophenoxy)-1,3-dimethylpyrazole (PubChem CID 172552718) has the molecular formula C11H10BrFN2O and a molecular weight of 285.12 g/mol. Its IUPAC name is 5-(4-bromo-2-fluorophenoxy)-1,3-dimethylpyrazole.

Molecular Properties

Compound Name5-(4-bromo-2-fluorophenoxy)-1,3-dimethylpyrazole
PubChem CID172552718
Molecular FormulaC11H10BrFN2O
Molecular Weight285.12 g/mol
Exact Mass284.00
IUPAC Name5-(4-bromo-2-fluorophenoxy)-1,3-dimethylpyrazole
SMILESCc1cc(Oc2ccc(Br)cc2F)n(C)n1
InChIInChI=1S/C11H10BrFN2O/c1-7-5-11(15(2)14-7)16-10-4-3-8(12)6-9(10)13/h3-6H,1-2H3
InChIKeyNVGYSKDAAPFZGJ-UHFFFAOYSA-N
XLogP3.42
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.12
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-2-fluorophenoxy)-1,3-dimethylpyrazole?
The IUPAC name of 5-(4-bromo-2-fluorophenoxy)-1,3-dimethylpyrazole (CID 172552718) is 5-(4-bromo-2-fluorophenoxy)-1,3-dimethylpyrazole.
What is the SMILES notation for 5-(4-bromo-2-fluorophenoxy)-1,3-dimethylpyrazole?
The canonical SMILES for 5-(4-bromo-2-fluorophenoxy)-1,3-dimethylpyrazole is Cc1cc(Oc2ccc(Br)cc2F)n(C)n1.
What is the InChIKey of 5-(4-bromo-2-fluorophenoxy)-1,3-dimethylpyrazole?
The InChIKey is NVGYSKDAAPFZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN2O/c1-7-5-11(15(2)14-7)16-10-4-3-8(12)6-9(10)13/h3-6H,1-2H3.
What are the key properties of 5-(4-bromo-2-fluorophenoxy)-1,3-dimethylpyrazole?
5-(4-bromo-2-fluorophenoxy)-1,3-dimethylpyrazole has a molecular weight of 285.12 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-2-fluorophenoxy)-1,3-dimethylpyrazole is sourced from PubChem (CID 172552718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).