5-(2,4-dibromophenoxy)-1-ethyl-3-methylpyrazol-4-amine

C12H13Br2N3O — CID 66012891

IUPAC5-(2,4-dibromophenoxy)-1-ethyl-3-methylpyrazol-4-amine
SMILESCCn1nc(C)c(N)c1Oc1ccc(Br)cc1Br
InChIInChI=1S/C12H13Br2N3O/c1-3-17-12(11(15)7(2)16-17)18-10-5-4-8(13)6-9(10)14/h4-6H,3,15H2,1-2H3
InChIKeyZZTLCUIQRFQAAR-UHFFFAOYSA-N
MW375.06 g/mol
LogP4.11
Rot. Bonds3

About 5-(2,4-dibromophenoxy)-1-ethyl-3-methylpyrazol-4-amine

5-(2,4-dibromophenoxy)-1-ethyl-3-methylpyrazol-4-amine (PubChem CID 66012891) has the molecular formula C12H13Br2N3O and a molecular weight of 375.06 g/mol. Its IUPAC name is 5-(2,4-dibromophenoxy)-1-ethyl-3-methylpyrazol-4-amine.

Molecular Properties

Compound Name5-(2,4-dibromophenoxy)-1-ethyl-3-methylpyrazol-4-amine
PubChem CID66012891
Molecular FormulaC12H13Br2N3O
Molecular Weight375.06 g/mol
Exact Mass372.94
IUPAC Name5-(2,4-dibromophenoxy)-1-ethyl-3-methylpyrazol-4-amine
SMILESCCn1nc(C)c(N)c1Oc1ccc(Br)cc1Br
InChIInChI=1S/C12H13Br2N3O/c1-3-17-12(11(15)7(2)16-17)18-10-5-4-8(13)6-9(10)14/h4-6H,3,15H2,1-2H3
InChIKeyZZTLCUIQRFQAAR-UHFFFAOYSA-N
XLogP4.11
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.06
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dibromophenoxy)-1-ethyl-3-methylpyrazol-4-amine?
The IUPAC name of 5-(2,4-dibromophenoxy)-1-ethyl-3-methylpyrazol-4-amine (CID 66012891) is 5-(2,4-dibromophenoxy)-1-ethyl-3-methylpyrazol-4-amine.
What is the SMILES notation for 5-(2,4-dibromophenoxy)-1-ethyl-3-methylpyrazol-4-amine?
The canonical SMILES for 5-(2,4-dibromophenoxy)-1-ethyl-3-methylpyrazol-4-amine is CCn1nc(C)c(N)c1Oc1ccc(Br)cc1Br.
What is the InChIKey of 5-(2,4-dibromophenoxy)-1-ethyl-3-methylpyrazol-4-amine?
The InChIKey is ZZTLCUIQRFQAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Br2N3O/c1-3-17-12(11(15)7(2)16-17)18-10-5-4-8(13)6-9(10)14/h4-6H,3,15H2,1-2H3.
What are the key properties of 5-(2,4-dibromophenoxy)-1-ethyl-3-methylpyrazol-4-amine?
5-(2,4-dibromophenoxy)-1-ethyl-3-methylpyrazol-4-amine has a molecular weight of 375.06 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dibromophenoxy)-1-ethyl-3-methylpyrazol-4-amine is sourced from PubChem (CID 66012891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).