1-(4-bromophenyl)-5-ethoxypyrazole

C11H11BrN2O — CID 22347339

IUPAC1-(4-bromophenyl)-5-ethoxypyrazole
SMILESCCOc1ccnn1-c1ccc(Br)cc1
InChIInChI=1S/C11H11BrN2O/c1-2-15-11-7-8-13-14(11)10-5-3-9(12)4-6-10/h3-8H,2H2,1H3
InChIKeyNPTRQHOARBNMDL-UHFFFAOYSA-N
MW267.13 g/mol
LogP3.03
Rot. Bonds3

About 1-(4-bromophenyl)-5-ethoxypyrazole

1-(4-bromophenyl)-5-ethoxypyrazole (PubChem CID 22347339) has the molecular formula C11H11BrN2O and a molecular weight of 267.13 g/mol. Its IUPAC name is 1-(4-bromophenyl)-5-ethoxypyrazole.

Molecular Properties

Compound Name1-(4-bromophenyl)-5-ethoxypyrazole
PubChem CID22347339
Molecular FormulaC11H11BrN2O
Molecular Weight267.13 g/mol
Exact Mass266.01
IUPAC Name1-(4-bromophenyl)-5-ethoxypyrazole
SMILESCCOc1ccnn1-c1ccc(Br)cc1
InChIInChI=1S/C11H11BrN2O/c1-2-15-11-7-8-13-14(11)10-5-3-9(12)4-6-10/h3-8H,2H2,1H3
InChIKeyNPTRQHOARBNMDL-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-5-ethoxypyrazole?
The IUPAC name of 1-(4-bromophenyl)-5-ethoxypyrazole (CID 22347339) is 1-(4-bromophenyl)-5-ethoxypyrazole.
What is the SMILES notation for 1-(4-bromophenyl)-5-ethoxypyrazole?
The canonical SMILES for 1-(4-bromophenyl)-5-ethoxypyrazole is CCOc1ccnn1-c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-5-ethoxypyrazole?
The InChIKey is NPTRQHOARBNMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O/c1-2-15-11-7-8-13-14(11)10-5-3-9(12)4-6-10/h3-8H,2H2,1H3.
What are the key properties of 1-(4-bromophenyl)-5-ethoxypyrazole?
1-(4-bromophenyl)-5-ethoxypyrazole has a molecular weight of 267.13 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-5-ethoxypyrazole is sourced from PubChem (CID 22347339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).