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

C13H13BrFN5 — CID 104779963

IUPAC6-(3-bromo-4-fluorophenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine
SMILESCCn1nc(C)c2nc(N)n(-c3ccc(F)c(Br)c3)c21
InChIInChI=1S/C13H13BrFN5/c1-3-19-12-11(7(2)18-19)17-13(16)20(12)8-4-5-10(15)9(14)6-8/h4-6H,3H2,1-2H3,(H2,16,17)
InChIKeyIPBIFQDSHVCKIE-UHFFFAOYSA-N
MW338.18 g/mol
LogP3.03
Rot. Bonds2

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

6-(3-bromo-4-fluorophenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine (PubChem CID 104779963) has the molecular formula C13H13BrFN5 and a molecular weight of 338.18 g/mol. Its IUPAC name is 6-(3-bromo-4-fluorophenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine.

Molecular Properties

Compound Name6-(3-bromo-4-fluorophenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine
PubChem CID104779963
Molecular FormulaC13H13BrFN5
Molecular Weight338.18 g/mol
Exact Mass337.03
IUPAC Name6-(3-bromo-4-fluorophenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine
SMILESCCn1nc(C)c2nc(N)n(-c3ccc(F)c(Br)c3)c21
InChIInChI=1S/C13H13BrFN5/c1-3-19-12-11(7(2)18-19)17-13(16)20(12)8-4-5-10(15)9(14)6-8/h4-6H,3H2,1-2H3,(H2,16,17)
InChIKeyIPBIFQDSHVCKIE-UHFFFAOYSA-N
XLogP3.03
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.18
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-chloro-4-fluorophenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine
CID 79305067
6-(4-bromo-3-methylphenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine
CID 79305686
6-(2,5-difluorophenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine
CID 79305615
6-(3,5-dimethylphenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine
CID 79305338
6-(2-bromo-5-methylphenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine
CID 82766085
1-ethyl-3-methyl-6-(4-propan-2-ylphenyl)imidazo[4,5-d]pyrazol-5-amine
CID 79283615
6-(3-chloro-4-fluorophenyl)-5-(chloromethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazole
CID 79284447
6-(1,3-dimethylpyrazol-4-yl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine
CID 102806342
1-ethyl-6-(2-methoxyphenyl)-3-methylimidazo[4,5-d]pyrazol-5-amine
CID 79305612
6-(3-fluoro-4-methoxyphenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine
CID 79297559
3-(3-bromo-4-fluorophenyl)-6-methylimidazo[4,5-b]pyridin-2-amine
CID 104779962
6-[1-(4-bromophenyl)ethyl]-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine
CID 79284125

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromo-4-fluorophenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine?
The IUPAC name of 6-(3-bromo-4-fluorophenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine (CID 104779963) is 6-(3-bromo-4-fluorophenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine.
What is the SMILES notation for 6-(3-bromo-4-fluorophenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine?
The canonical SMILES for 6-(3-bromo-4-fluorophenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine is CCn1nc(C)c2nc(N)n(-c3ccc(F)c(Br)c3)c21.
What is the InChIKey of 6-(3-bromo-4-fluorophenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine?
The InChIKey is IPBIFQDSHVCKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFN5/c1-3-19-12-11(7(2)18-19)17-13(16)20(12)8-4-5-10(15)9(14)6-8/h4-6H,3H2,1-2H3,(H2,16,17).
What are the key properties of 6-(3-bromo-4-fluorophenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine?
6-(3-bromo-4-fluorophenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine has a molecular weight of 338.18 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromo-4-fluorophenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine is sourced from PubChem (CID 104779963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).