1-ethyl-3-methyl-6-(1-methylsulfonylpropan-2-yl)imidazo[4,5-d]pyrazol-5-amine

C11H19N5O2S — CID 79305492

IUPAC1-ethyl-3-methyl-6-(1-methylsulfonylpropan-2-yl)imidazo[4,5-d]pyrazol-5-amine
SMILESCCn1nc(C)c2nc(N)n(C(C)CS(C)(=O)=O)c21
InChIInChI=1S/C11H19N5O2S/c1-5-15-10-9(8(3)14-15)13-11(12)16(10)7(2)6-19(4,17)18/h7H,5-6H2,1-4H3,(H2,12,13)
InChIKeyCMUKWDXLAGBRIO-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.75
Rot. Bonds4

About 1-ethyl-3-methyl-6-(1-methylsulfonylpropan-2-yl)imidazo[4,5-d]pyrazol-5-amine

1-ethyl-3-methyl-6-(1-methylsulfonylpropan-2-yl)imidazo[4,5-d]pyrazol-5-amine (PubChem CID 79305492) has the molecular formula C11H19N5O2S and a molecular weight of 285.37 g/mol. Its IUPAC name is 1-ethyl-3-methyl-6-(1-methylsulfonylpropan-2-yl)imidazo[4,5-d]pyrazol-5-amine.

Molecular Properties

Compound Name1-ethyl-3-methyl-6-(1-methylsulfonylpropan-2-yl)imidazo[4,5-d]pyrazol-5-amine
PubChem CID79305492
Molecular FormulaC11H19N5O2S
Molecular Weight285.37 g/mol
Exact Mass285.13
IUPAC Name1-ethyl-3-methyl-6-(1-methylsulfonylpropan-2-yl)imidazo[4,5-d]pyrazol-5-amine
SMILESCCn1nc(C)c2nc(N)n(C(C)CS(C)(=O)=O)c21
InChIInChI=1S/C11H19N5O2S/c1-5-15-10-9(8(3)14-15)13-11(12)16(10)7(2)6-19(4,17)18/h7H,5-6H2,1-4H3,(H2,12,13)
InChIKeyCMUKWDXLAGBRIO-UHFFFAOYSA-N
XLogP0.75
TPSA95.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-6-(1-methylsulfonylpropan-2-yl)imidazo[4,5-d]pyrazol-5-amine?
The IUPAC name of 1-ethyl-3-methyl-6-(1-methylsulfonylpropan-2-yl)imidazo[4,5-d]pyrazol-5-amine (CID 79305492) is 1-ethyl-3-methyl-6-(1-methylsulfonylpropan-2-yl)imidazo[4,5-d]pyrazol-5-amine.
What is the SMILES notation for 1-ethyl-3-methyl-6-(1-methylsulfonylpropan-2-yl)imidazo[4,5-d]pyrazol-5-amine?
The canonical SMILES for 1-ethyl-3-methyl-6-(1-methylsulfonylpropan-2-yl)imidazo[4,5-d]pyrazol-5-amine is CCn1nc(C)c2nc(N)n(C(C)CS(C)(=O)=O)c21.
What is the InChIKey of 1-ethyl-3-methyl-6-(1-methylsulfonylpropan-2-yl)imidazo[4,5-d]pyrazol-5-amine?
The InChIKey is CMUKWDXLAGBRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2S/c1-5-15-10-9(8(3)14-15)13-11(12)16(10)7(2)6-19(4,17)18/h7H,5-6H2,1-4H3,(H2,12,13).
What are the key properties of 1-ethyl-3-methyl-6-(1-methylsulfonylpropan-2-yl)imidazo[4,5-d]pyrazol-5-amine?
1-ethyl-3-methyl-6-(1-methylsulfonylpropan-2-yl)imidazo[4,5-d]pyrazol-5-amine has a molecular weight of 285.37 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-6-(1-methylsulfonylpropan-2-yl)imidazo[4,5-d]pyrazol-5-amine is sourced from PubChem (CID 79305492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).