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

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Related Compounds

3-N,3-N-diethyl-4-methylsulfonyl-1-pyrazin-2-ylpyrazole-3,5-diamine
CID 102826399
1-(3-bromophenyl)-4-methylsulfonyl-3-N-propan-2-ylpyrazole-3,5-diamine
CID 102825818
1-cyclopentyl-4-methylsulfonyl-3-N-propan-2-ylpyrazole-3,5-diamine
CID 102825977
4-nitro-3-propan-2-yl-1-pyrazin-2-ylpyrazol-5-amine
CID 81041163
3-N-methyl-1-(6-methylpyrimidin-4-yl)-4-methylsulfonylpyrazole-3,5-diamine
CID 102826164
1-(5-bromo-2-pyridinyl)-4-methylsulfonyl-3-N-propylpyrazole-3,5-diamine
CID 102826367
methyl 5-amino-3-(azetidin-3-ylamino)-1-pyrazin-2-ylpyrazole-4-carboxylate
CID 102809208
2-pyrazin-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine
CID 81043372
4-propan-2-ylsulfanyl-1-pyrazin-2-ylpyrazol-5-amine
CID 81041601
5-amino-3-(dimethylamino)-1-pyrazin-2-ylpyrazole-4-carbonitrile
CID 102809211
1-(4-bromo-2-methylphenyl)-3-N-methyl-4-methylsulfonylpyrazole-3,5-diamine
CID 102826426
1-(4-chlorophenyl)-4-methylsulfonyl-3-N-propylpyrazole-3,5-diamine
CID 102825456

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).