3,5-dimethyl-1-(2-methylsulfonylethyl)pyrazol-4-amine

C8H15N3O2S — CID 60917144

IUPAC3,5-dimethyl-1-(2-methylsulfonylethyl)pyrazol-4-amine
SMILESCc1nn(CCS(C)(=O)=O)c(C)c1N
InChIInChI=1S/C8H15N3O2S/c1-6-8(9)7(2)11(10-6)4-5-14(3,12)13/h4-5,9H2,1-3H3
InChIKeyDWWOKACIFXASMU-UHFFFAOYSA-N
MW217.29 g/mol
LogP0.13
Rot. Bonds3

About 3,5-dimethyl-1-(2-methylsulfonylethyl)pyrazol-4-amine

3,5-dimethyl-1-(2-methylsulfonylethyl)pyrazol-4-amine (PubChem CID 60917144) has the molecular formula C8H15N3O2S and a molecular weight of 217.29 g/mol. Its IUPAC name is 3,5-dimethyl-1-(2-methylsulfonylethyl)pyrazol-4-amine.

Molecular Properties

Compound Name3,5-dimethyl-1-(2-methylsulfonylethyl)pyrazol-4-amine
PubChem CID60917144
Molecular FormulaC8H15N3O2S
Molecular Weight217.29 g/mol
Exact Mass217.09
IUPAC Name3,5-dimethyl-1-(2-methylsulfonylethyl)pyrazol-4-amine
SMILESCc1nn(CCS(C)(=O)=O)c(C)c1N
InChIInChI=1S/C8H15N3O2S/c1-6-8(9)7(2)11(10-6)4-5-14(3,12)13/h4-5,9H2,1-3H3
InChIKeyDWWOKACIFXASMU-UHFFFAOYSA-N
XLogP0.13
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3,5-dimethyl-1-(2-methylsulfonylethyl)pyrazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-(2-methylsulfonylethyl)pyrazol-4-amine?
The IUPAC name of 3,5-dimethyl-1-(2-methylsulfonylethyl)pyrazol-4-amine (CID 60917144) is 3,5-dimethyl-1-(2-methylsulfonylethyl)pyrazol-4-amine.
What is the SMILES notation for 3,5-dimethyl-1-(2-methylsulfonylethyl)pyrazol-4-amine?
The canonical SMILES for 3,5-dimethyl-1-(2-methylsulfonylethyl)pyrazol-4-amine is Cc1nn(CCS(C)(=O)=O)c(C)c1N.
What is the InChIKey of 3,5-dimethyl-1-(2-methylsulfonylethyl)pyrazol-4-amine?
The InChIKey is DWWOKACIFXASMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2S/c1-6-8(9)7(2)11(10-6)4-5-14(3,12)13/h4-5,9H2,1-3H3.
What are the key properties of 3,5-dimethyl-1-(2-methylsulfonylethyl)pyrazol-4-amine?
3,5-dimethyl-1-(2-methylsulfonylethyl)pyrazol-4-amine has a molecular weight of 217.29 g/mol, XLogP of 0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-(2-methylsulfonylethyl)pyrazol-4-amine is sourced from PubChem (CID 60917144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).