6-[1-(4-bromophenyl)ethyl]-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine

C15H18BrN5 — CID 79284125

IUPAC6-[1-(4-bromophenyl)ethyl]-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine
SMILESCCn1nc(C)c2nc(N)n(C(C)c3ccc(Br)cc3)c21
InChIInChI=1S/C15H18BrN5/c1-4-20-14-13(9(2)19-20)18-15(17)21(14)10(3)11-5-7-12(16)8-6-11/h5-8,10H,4H2,1-3H3,(H2,17,18)
InChIKeyOHQJOYYBWWELPS-UHFFFAOYSA-N
MW348.25 g/mol
LogP3.52
Rot. Bonds3

About 6-[1-(4-bromophenyl)ethyl]-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine

6-[1-(4-bromophenyl)ethyl]-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine (PubChem CID 79284125) has the molecular formula C15H18BrN5 and a molecular weight of 348.25 g/mol. Its IUPAC name is 6-[1-(4-bromophenyl)ethyl]-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine.

Molecular Properties

Compound Name6-[1-(4-bromophenyl)ethyl]-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine
PubChem CID79284125
Molecular FormulaC15H18BrN5
Molecular Weight348.25 g/mol
Exact Mass347.07
IUPAC Name6-[1-(4-bromophenyl)ethyl]-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine
SMILESCCn1nc(C)c2nc(N)n(C(C)c3ccc(Br)cc3)c21
InChIInChI=1S/C15H18BrN5/c1-4-20-14-13(9(2)19-20)18-15(17)21(14)10(3)11-5-7-12(16)8-6-11/h5-8,10H,4H2,1-3H3,(H2,17,18)
InChIKeyOHQJOYYBWWELPS-UHFFFAOYSA-N
XLogP3.52
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.25
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(4-bromophenyl)ethyl]-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine?
The IUPAC name of 6-[1-(4-bromophenyl)ethyl]-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine (CID 79284125) is 6-[1-(4-bromophenyl)ethyl]-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine.
What is the SMILES notation for 6-[1-(4-bromophenyl)ethyl]-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine?
The canonical SMILES for 6-[1-(4-bromophenyl)ethyl]-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine is CCn1nc(C)c2nc(N)n(C(C)c3ccc(Br)cc3)c21.
What is the InChIKey of 6-[1-(4-bromophenyl)ethyl]-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine?
The InChIKey is OHQJOYYBWWELPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN5/c1-4-20-14-13(9(2)19-20)18-15(17)21(14)10(3)11-5-7-12(16)8-6-11/h5-8,10H,4H2,1-3H3,(H2,17,18).
What are the key properties of 6-[1-(4-bromophenyl)ethyl]-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine?
6-[1-(4-bromophenyl)ethyl]-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine has a molecular weight of 348.25 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(4-bromophenyl)ethyl]-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine is sourced from PubChem (CID 79284125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).