5-(2-bromo-4-fluorophenoxy)-1,3-dimethylpyrazol-4-amine

C11H11BrFN3O — CID 43554376

IUPAC5-(2-bromo-4-fluorophenoxy)-1,3-dimethylpyrazol-4-amine
SMILESCc1nn(C)c(Oc2ccc(F)cc2Br)c1N
InChIInChI=1S/C11H11BrFN3O/c1-6-10(14)11(16(2)15-6)17-9-4-3-7(13)5-8(9)12/h3-5H,14H2,1-2H3
InChIKeyIOIYONMETLKRCM-UHFFFAOYSA-N
MW300.13 g/mol
LogP3.00
Rot. Bonds2

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

5-(2-bromo-4-fluorophenoxy)-1,3-dimethylpyrazol-4-amine (PubChem CID 43554376) has the molecular formula C11H11BrFN3O and a molecular weight of 300.13 g/mol. Its IUPAC name is 5-(2-bromo-4-fluorophenoxy)-1,3-dimethylpyrazol-4-amine.

Molecular Properties

Compound Name5-(2-bromo-4-fluorophenoxy)-1,3-dimethylpyrazol-4-amine
PubChem CID43554376
Molecular FormulaC11H11BrFN3O
Molecular Weight300.13 g/mol
Exact Mass299.01
IUPAC Name5-(2-bromo-4-fluorophenoxy)-1,3-dimethylpyrazol-4-amine
SMILESCc1nn(C)c(Oc2ccc(F)cc2Br)c1N
InChIInChI=1S/C11H11BrFN3O/c1-6-10(14)11(16(2)15-6)17-9-4-3-7(13)5-8(9)12/h3-5H,14H2,1-2H3
InChIKeyIOIYONMETLKRCM-UHFFFAOYSA-N
XLogP3.00
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.13
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-4-fluorophenoxy)-1,3-dimethylpyrazol-4-amine?
The IUPAC name of 5-(2-bromo-4-fluorophenoxy)-1,3-dimethylpyrazol-4-amine (CID 43554376) is 5-(2-bromo-4-fluorophenoxy)-1,3-dimethylpyrazol-4-amine.
What is the SMILES notation for 5-(2-bromo-4-fluorophenoxy)-1,3-dimethylpyrazol-4-amine?
The canonical SMILES for 5-(2-bromo-4-fluorophenoxy)-1,3-dimethylpyrazol-4-amine is Cc1nn(C)c(Oc2ccc(F)cc2Br)c1N.
What is the InChIKey of 5-(2-bromo-4-fluorophenoxy)-1,3-dimethylpyrazol-4-amine?
The InChIKey is IOIYONMETLKRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFN3O/c1-6-10(14)11(16(2)15-6)17-9-4-3-7(13)5-8(9)12/h3-5H,14H2,1-2H3.
What are the key properties of 5-(2-bromo-4-fluorophenoxy)-1,3-dimethylpyrazol-4-amine?
5-(2-bromo-4-fluorophenoxy)-1,3-dimethylpyrazol-4-amine has a molecular weight of 300.13 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromo-4-fluorophenoxy)-1,3-dimethylpyrazol-4-amine is sourced from PubChem (CID 43554376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).