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

C14H16BrN5 — CID 79305686

IUPAC6-(4-bromo-3-methylphenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine
SMILESCCn1nc(C)c2nc(N)n(-c3ccc(Br)c(C)c3)c21
InChIInChI=1S/C14H16BrN5/c1-4-19-13-12(9(3)18-19)17-14(16)20(13)10-5-6-11(15)8(2)7-10/h5-7H,4H2,1-3H3,(H2,16,17)
InChIKeyLAMCDWMTACVLCW-UHFFFAOYSA-N
MW334.22 g/mol
LogP3.20
Rot. Bonds2

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

6-(4-bromo-3-methylphenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine (PubChem CID 79305686) has the molecular formula C14H16BrN5 and a molecular weight of 334.22 g/mol. Its IUPAC name is 6-(4-bromo-3-methylphenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine.

Molecular Properties

Compound Name6-(4-bromo-3-methylphenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine
PubChem CID79305686
Molecular FormulaC14H16BrN5
Molecular Weight334.22 g/mol
Exact Mass333.06
IUPAC Name6-(4-bromo-3-methylphenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine
SMILESCCn1nc(C)c2nc(N)n(-c3ccc(Br)c(C)c3)c21
InChIInChI=1S/C14H16BrN5/c1-4-19-13-12(9(3)18-19)17-14(16)20(13)10-5-6-11(15)8(2)7-10/h5-7H,4H2,1-3H3,(H2,16,17)
InChIKeyLAMCDWMTACVLCW-UHFFFAOYSA-N
XLogP3.20
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-bromo-3-methylphenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine?
The IUPAC name of 6-(4-bromo-3-methylphenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine (CID 79305686) is 6-(4-bromo-3-methylphenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine.
What is the SMILES notation for 6-(4-bromo-3-methylphenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine?
The canonical SMILES for 6-(4-bromo-3-methylphenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine is CCn1nc(C)c2nc(N)n(-c3ccc(Br)c(C)c3)c21.
What is the InChIKey of 6-(4-bromo-3-methylphenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine?
The InChIKey is LAMCDWMTACVLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN5/c1-4-19-13-12(9(3)18-19)17-14(16)20(13)10-5-6-11(15)8(2)7-10/h5-7H,4H2,1-3H3,(H2,16,17).
What are the key properties of 6-(4-bromo-3-methylphenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine?
6-(4-bromo-3-methylphenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine has a molecular weight of 334.22 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromo-3-methylphenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine is sourced from PubChem (CID 79305686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).