4-methylsulfonyl-3-N-propan-2-yl-1-pyrazin-2-ylpyrazole-3,5-diamine

C11H16N6O2S — CID 102826393

IUPAC4-methylsulfonyl-3-N-propan-2-yl-1-pyrazin-2-ylpyrazole-3,5-diamine
SMILESCC(C)Nc1nn(-c2cnccn2)c(N)c1S(C)(=O)=O
InChIInChI=1S/C11H16N6O2S/c1-7(2)15-11-9(20(3,18)19)10(12)17(16-11)8-6-13-4-5-14-8/h4-7H,12H2,1-3H3,(H,15,16)
InChIKeyACJWXGSFBKWUHI-UHFFFAOYSA-N
MW296.36 g/mol
LogP0.47
Rot. Bonds4

About 4-methylsulfonyl-3-N-propan-2-yl-1-pyrazin-2-ylpyrazole-3,5-diamine

4-methylsulfonyl-3-N-propan-2-yl-1-pyrazin-2-ylpyrazole-3,5-diamine (PubChem CID 102826393) has the molecular formula C11H16N6O2S and a molecular weight of 296.36 g/mol. Its IUPAC name is 4-methylsulfonyl-3-N-propan-2-yl-1-pyrazin-2-ylpyrazole-3,5-diamine.

Molecular Properties

Compound Name4-methylsulfonyl-3-N-propan-2-yl-1-pyrazin-2-ylpyrazole-3,5-diamine
PubChem CID102826393
Molecular FormulaC11H16N6O2S
Molecular Weight296.36 g/mol
Exact Mass296.11
IUPAC Name4-methylsulfonyl-3-N-propan-2-yl-1-pyrazin-2-ylpyrazole-3,5-diamine
SMILESCC(C)Nc1nn(-c2cnccn2)c(N)c1S(C)(=O)=O
InChIInChI=1S/C11H16N6O2S/c1-7(2)15-11-9(20(3,18)19)10(12)17(16-11)8-6-13-4-5-14-8/h4-7H,12H2,1-3H3,(H,15,16)
InChIKeyACJWXGSFBKWUHI-UHFFFAOYSA-N
XLogP0.47
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-methylsulfonyl-3-N-propan-2-yl-1-pyrazin-2-ylpyrazole-3,5-diamine 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 4-methylsulfonyl-3-N-propan-2-yl-1-pyrazin-2-ylpyrazole-3,5-diamine?
The IUPAC name of 4-methylsulfonyl-3-N-propan-2-yl-1-pyrazin-2-ylpyrazole-3,5-diamine (CID 102826393) is 4-methylsulfonyl-3-N-propan-2-yl-1-pyrazin-2-ylpyrazole-3,5-diamine.
What is the SMILES notation for 4-methylsulfonyl-3-N-propan-2-yl-1-pyrazin-2-ylpyrazole-3,5-diamine?
The canonical SMILES for 4-methylsulfonyl-3-N-propan-2-yl-1-pyrazin-2-ylpyrazole-3,5-diamine is CC(C)Nc1nn(-c2cnccn2)c(N)c1S(C)(=O)=O.
What is the InChIKey of 4-methylsulfonyl-3-N-propan-2-yl-1-pyrazin-2-ylpyrazole-3,5-diamine?
The InChIKey is ACJWXGSFBKWUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O2S/c1-7(2)15-11-9(20(3,18)19)10(12)17(16-11)8-6-13-4-5-14-8/h4-7H,12H2,1-3H3,(H,15,16).
What are the key properties of 4-methylsulfonyl-3-N-propan-2-yl-1-pyrazin-2-ylpyrazole-3,5-diamine?
4-methylsulfonyl-3-N-propan-2-yl-1-pyrazin-2-ylpyrazole-3,5-diamine has a molecular weight of 296.36 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-3-N-propan-2-yl-1-pyrazin-2-ylpyrazole-3,5-diamine is sourced from PubChem (CID 102826393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).