6-(2-bromo-5-methylphenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine

C14H16BrN5 — CID 82766085

IUPAC6-(2-bromo-5-methylphenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine
SMILESCCn1nc(C)c2nc(N)n(-c3cc(C)ccc3Br)c21
InChIInChI=1S/C14H16BrN5/c1-4-19-13-12(9(3)18-19)17-14(16)20(13)11-7-8(2)5-6-10(11)15/h5-7H,4H2,1-3H3,(H2,16,17)
InChIKeyFDJLEODKFNRQTM-UHFFFAOYSA-N
MW334.22 g/mol
LogP3.20
Rot. Bonds2

About 6-(2-bromo-5-methylphenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine

6-(2-bromo-5-methylphenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine (PubChem CID 82766085) has the molecular formula C14H16BrN5 and a molecular weight of 334.22 g/mol. Its IUPAC name is 6-(2-bromo-5-methylphenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine.

Molecular Properties

Compound Name6-(2-bromo-5-methylphenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine
PubChem CID82766085
Molecular FormulaC14H16BrN5
Molecular Weight334.22 g/mol
Exact Mass333.06
IUPAC Name6-(2-bromo-5-methylphenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine
SMILESCCn1nc(C)c2nc(N)n(-c3cc(C)ccc3Br)c21
InChIInChI=1S/C14H16BrN5/c1-4-19-13-12(9(3)18-19)17-14(16)20(13)11-7-8(2)5-6-10(11)15/h5-7H,4H2,1-3H3,(H2,16,17)
InChIKeyFDJLEODKFNRQTM-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-(2-bromo-5-methylphenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine?
The IUPAC name of 6-(2-bromo-5-methylphenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine (CID 82766085) is 6-(2-bromo-5-methylphenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine.
What is the SMILES notation for 6-(2-bromo-5-methylphenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine?
The canonical SMILES for 6-(2-bromo-5-methylphenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine is CCn1nc(C)c2nc(N)n(-c3cc(C)ccc3Br)c21.
What is the InChIKey of 6-(2-bromo-5-methylphenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine?
The InChIKey is FDJLEODKFNRQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN5/c1-4-19-13-12(9(3)18-19)17-14(16)20(13)11-7-8(2)5-6-10(11)15/h5-7H,4H2,1-3H3,(H2,16,17).
What are the key properties of 6-(2-bromo-5-methylphenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine?
6-(2-bromo-5-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-(2-bromo-5-methylphenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine is sourced from PubChem (CID 82766085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).