3-N,1-dimethyl-3-N-(2-methylsulfonylethyl)pyrazole-3,4-diamine

C8H16N4O2S — CID 103078693

IUPAC3-N,1-dimethyl-3-N-(2-methylsulfonylethyl)pyrazole-3,4-diamine
SMILESCN(CCS(C)(=O)=O)c1nn(C)cc1N
InChIInChI=1S/C8H16N4O2S/c1-11(4-5-15(3,13)14)8-7(9)6-12(2)10-8/h6H,4-5,9H2,1-3H3
InChIKeyTYGRWWHGERCSTH-UHFFFAOYSA-N
MW232.31 g/mol
LogP-0.52
Rot. Bonds4

About 3-N,1-dimethyl-3-N-(2-methylsulfonylethyl)pyrazole-3,4-diamine

3-N,1-dimethyl-3-N-(2-methylsulfonylethyl)pyrazole-3,4-diamine (PubChem CID 103078693) has the molecular formula C8H16N4O2S and a molecular weight of 232.31 g/mol. Its IUPAC name is 3-N,1-dimethyl-3-N-(2-methylsulfonylethyl)pyrazole-3,4-diamine.

Molecular Properties

Compound Name3-N,1-dimethyl-3-N-(2-methylsulfonylethyl)pyrazole-3,4-diamine
PubChem CID103078693
Molecular FormulaC8H16N4O2S
Molecular Weight232.31 g/mol
Exact Mass232.10
IUPAC Name3-N,1-dimethyl-3-N-(2-methylsulfonylethyl)pyrazole-3,4-diamine
SMILESCN(CCS(C)(=O)=O)c1nn(C)cc1N
InChIInChI=1S/C8H16N4O2S/c1-11(4-5-15(3,13)14)8-7(9)6-12(2)10-8/h6H,4-5,9H2,1-3H3
InChIKeyTYGRWWHGERCSTH-UHFFFAOYSA-N
XLogP-0.52
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N,1-dimethyl-N-(2-methylsulfonylethyl)pyrazole-4-sulfonamide
CID 79850425
2-[(4-amino-1-methylpyrazol-3-yl)-methylamino]-N-(2-methylpropyl)acetamide
CID 103078834
3-N-benzyl-3-N,1-dimethylpyrazole-3,4-diamine
CID 103077806
2-N-methyl-2-N-(2-methylsulfonylethyl)pyridine-2,3-diamine
CID 79849997
2-[(4-amino-1-methylpyrazol-3-yl)-methylamino]-N-cyclopropylacetamide
CID 103078075
3-N,1-dimethyl-3-N-(2-methylbutan-2-yl)pyrazole-3,4-diamine
CID 103078545
3-bromo-N-methyl-N-(2-methylsulfonylethyl)pyridin-2-amine
CID 79864976
3-N-butyl-3-N-ethyl-1-methylpyrazole-3,4-diamine
CID 103077816
3-N-[1-(dimethylamino)propan-2-yl]-3-N-ethyl-1-methylpyrazole-3,4-diamine
CID 103187585
1-(3-tert-butyl-1-methylpyrazol-4-yl)-N-methyl-N-(2-methylsulfonylethyl)ethane-1,2-diamine
CID 83090837
6-imidazol-1-yl-4-N-methyl-4-N-(2-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine
CID 80849549
3-(aminomethyl)-N,4,6-trimethyl-N-(2-methylsulfonylethyl)pyridin-2-amine
CID 79841926

Frequently Asked Questions

What is the IUPAC name of 3-N,1-dimethyl-3-N-(2-methylsulfonylethyl)pyrazole-3,4-diamine?
The IUPAC name of 3-N,1-dimethyl-3-N-(2-methylsulfonylethyl)pyrazole-3,4-diamine (CID 103078693) is 3-N,1-dimethyl-3-N-(2-methylsulfonylethyl)pyrazole-3,4-diamine.
What is the SMILES notation for 3-N,1-dimethyl-3-N-(2-methylsulfonylethyl)pyrazole-3,4-diamine?
The canonical SMILES for 3-N,1-dimethyl-3-N-(2-methylsulfonylethyl)pyrazole-3,4-diamine is CN(CCS(C)(=O)=O)c1nn(C)cc1N.
What is the InChIKey of 3-N,1-dimethyl-3-N-(2-methylsulfonylethyl)pyrazole-3,4-diamine?
The InChIKey is TYGRWWHGERCSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O2S/c1-11(4-5-15(3,13)14)8-7(9)6-12(2)10-8/h6H,4-5,9H2,1-3H3.
What are the key properties of 3-N,1-dimethyl-3-N-(2-methylsulfonylethyl)pyrazole-3,4-diamine?
3-N,1-dimethyl-3-N-(2-methylsulfonylethyl)pyrazole-3,4-diamine has a molecular weight of 232.31 g/mol, XLogP of -0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,1-dimethyl-3-N-(2-methylsulfonylethyl)pyrazole-3,4-diamine is sourced from PubChem (CID 103078693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).