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

C12H21N5O2S — CID 79305711

IUPAC1-methyl-6-(1-methylsulfonylpropan-2-yl)-3-propylimidazo[4,5-d]pyrazol-5-amine
SMILESCCCc1nn(C)c2c1nc(N)n2C(C)CS(C)(=O)=O
InChIInChI=1S/C12H21N5O2S/c1-5-6-9-10-11(16(3)15-9)17(12(13)14-10)8(2)7-20(4,18)19/h8H,5-7H2,1-4H3,(H2,13,14)
InChIKeyQTYFCXFTOAKOGO-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.91
Rot. Bonds5

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

1-methyl-6-(1-methylsulfonylpropan-2-yl)-3-propylimidazo[4,5-d]pyrazol-5-amine (PubChem CID 79305711) has the molecular formula C12H21N5O2S and a molecular weight of 299.40 g/mol. Its IUPAC name is 1-methyl-6-(1-methylsulfonylpropan-2-yl)-3-propylimidazo[4,5-d]pyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-6-(1-methylsulfonylpropan-2-yl)-3-propylimidazo[4,5-d]pyrazol-5-amine
PubChem CID79305711
Molecular FormulaC12H21N5O2S
Molecular Weight299.40 g/mol
Exact Mass299.14
IUPAC Name1-methyl-6-(1-methylsulfonylpropan-2-yl)-3-propylimidazo[4,5-d]pyrazol-5-amine
SMILESCCCc1nn(C)c2c1nc(N)n2C(C)CS(C)(=O)=O
InChIInChI=1S/C12H21N5O2S/c1-5-6-9-10-11(16(3)15-9)17(12(13)14-10)8(2)7-20(4,18)19/h8H,5-7H2,1-4H3,(H2,13,14)
InChIKeyQTYFCXFTOAKOGO-UHFFFAOYSA-N
XLogP0.91
TPSA95.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(5-amino-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl)-N-ethyl-N-methylpropanamide
CID 103112220
5-(1-chloroethyl)-3-ethyl-1-methyl-6-(1-methylsulfonylpropan-2-yl)imidazo[4,5-d]pyrazole
CID 79281695
1-methyl-3-propyl-6-(1-thiophen-2-ylpropan-2-yl)imidazo[4,5-d]pyrazol-5-amine
CID 79282138
6-(1-methoxypentan-2-yl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine
CID 79305363
1-ethyl-3-methyl-6-(1-methylsulfonylpropan-2-yl)imidazo[4,5-d]pyrazol-5-amine
CID 79305492
1-methyl-6-(3-methyl-2-propan-2-ylbutyl)-3-propylimidazo[4,5-d]pyrazol-5-amine
CID 102906820
6-[1-(5-chlorothiophen-2-yl)ethyl]-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine
CID 79280689
6-(3,3-dimethylbutan-2-yl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine
CID 113457913
5-(chloromethyl)-1-methyl-6-(4-methylpentan-2-yl)-3-propylimidazo[4,5-d]pyrazole
CID 79305233
2-(5-amino-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl)-N-ethylacetamide
CID 79305288
5-(1-chloroethyl)-1-methyl-6-(3-methylbutan-2-yl)-3-propylimidazo[4,5-d]pyrazole
CID 79304893
6-(2-ethylhexyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine
CID 107816990

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-(1-methylsulfonylpropan-2-yl)-3-propylimidazo[4,5-d]pyrazol-5-amine?
The IUPAC name of 1-methyl-6-(1-methylsulfonylpropan-2-yl)-3-propylimidazo[4,5-d]pyrazol-5-amine (CID 79305711) is 1-methyl-6-(1-methylsulfonylpropan-2-yl)-3-propylimidazo[4,5-d]pyrazol-5-amine.
What is the SMILES notation for 1-methyl-6-(1-methylsulfonylpropan-2-yl)-3-propylimidazo[4,5-d]pyrazol-5-amine?
The canonical SMILES for 1-methyl-6-(1-methylsulfonylpropan-2-yl)-3-propylimidazo[4,5-d]pyrazol-5-amine is CCCc1nn(C)c2c1nc(N)n2C(C)CS(C)(=O)=O.
What is the InChIKey of 1-methyl-6-(1-methylsulfonylpropan-2-yl)-3-propylimidazo[4,5-d]pyrazol-5-amine?
The InChIKey is QTYFCXFTOAKOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2S/c1-5-6-9-10-11(16(3)15-9)17(12(13)14-10)8(2)7-20(4,18)19/h8H,5-7H2,1-4H3,(H2,13,14).
What are the key properties of 1-methyl-6-(1-methylsulfonylpropan-2-yl)-3-propylimidazo[4,5-d]pyrazol-5-amine?
1-methyl-6-(1-methylsulfonylpropan-2-yl)-3-propylimidazo[4,5-d]pyrazol-5-amine has a molecular weight of 299.40 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-(1-methylsulfonylpropan-2-yl)-3-propylimidazo[4,5-d]pyrazol-5-amine is sourced from PubChem (CID 79305711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).