3-(3,5-dimethylpiperazin-1-yl)-1-methyl-4-methylsulfonylpyrazol-5-amine

C11H21N5O2S — CID 102825484

IUPAC3-(3,5-dimethylpiperazin-1-yl)-1-methyl-4-methylsulfonylpyrazol-5-amine
SMILESCC1CN(c2nn(C)c(N)c2S(C)(=O)=O)CC(C)N1
InChIInChI=1S/C11H21N5O2S/c1-7-5-16(6-8(2)13-7)11-9(19(4,17)18)10(12)15(3)14-11/h7-8,13H,5-6,12H2,1-4H3
InChIKeyKFNOOADDCXMWNI-UHFFFAOYSA-N
MW287.39 g/mol
LogP-0.41
Rot. Bonds2

About 3-(3,5-dimethylpiperazin-1-yl)-1-methyl-4-methylsulfonylpyrazol-5-amine

3-(3,5-dimethylpiperazin-1-yl)-1-methyl-4-methylsulfonylpyrazol-5-amine (PubChem CID 102825484) has the molecular formula C11H21N5O2S and a molecular weight of 287.39 g/mol. Its IUPAC name is 3-(3,5-dimethylpiperazin-1-yl)-1-methyl-4-methylsulfonylpyrazol-5-amine.

Molecular Properties

Compound Name3-(3,5-dimethylpiperazin-1-yl)-1-methyl-4-methylsulfonylpyrazol-5-amine
PubChem CID102825484
Molecular FormulaC11H21N5O2S
Molecular Weight287.39 g/mol
Exact Mass287.14
IUPAC Name3-(3,5-dimethylpiperazin-1-yl)-1-methyl-4-methylsulfonylpyrazol-5-amine
SMILESCC1CN(c2nn(C)c(N)c2S(C)(=O)=O)CC(C)N1
InChIInChI=1S/C11H21N5O2S/c1-7-5-16(6-8(2)13-7)11-9(19(4,17)18)10(12)15(3)14-11/h7-8,13H,5-6,12H2,1-4H3
InChIKeyKFNOOADDCXMWNI-UHFFFAOYSA-N
XLogP-0.41
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpiperazin-1-yl)-1-methyl-4-methylsulfonylpyrazol-5-amine?
The IUPAC name of 3-(3,5-dimethylpiperazin-1-yl)-1-methyl-4-methylsulfonylpyrazol-5-amine (CID 102825484) is 3-(3,5-dimethylpiperazin-1-yl)-1-methyl-4-methylsulfonylpyrazol-5-amine.
What is the SMILES notation for 3-(3,5-dimethylpiperazin-1-yl)-1-methyl-4-methylsulfonylpyrazol-5-amine?
The canonical SMILES for 3-(3,5-dimethylpiperazin-1-yl)-1-methyl-4-methylsulfonylpyrazol-5-amine is CC1CN(c2nn(C)c(N)c2S(C)(=O)=O)CC(C)N1.
What is the InChIKey of 3-(3,5-dimethylpiperazin-1-yl)-1-methyl-4-methylsulfonylpyrazol-5-amine?
The InChIKey is KFNOOADDCXMWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2S/c1-7-5-16(6-8(2)13-7)11-9(19(4,17)18)10(12)15(3)14-11/h7-8,13H,5-6,12H2,1-4H3.
What are the key properties of 3-(3,5-dimethylpiperazin-1-yl)-1-methyl-4-methylsulfonylpyrazol-5-amine?
3-(3,5-dimethylpiperazin-1-yl)-1-methyl-4-methylsulfonylpyrazol-5-amine has a molecular weight of 287.39 g/mol, XLogP of -0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpiperazin-1-yl)-1-methyl-4-methylsulfonylpyrazol-5-amine is sourced from PubChem (CID 102825484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).