1-(2-ethylsulfonylethyl)-3-N,3-N-dimethyl-4-methylsulfonylpyrazole-3,5-diamine

C10H20N4O4S2 — CID 102826350

IUPAC1-(2-ethylsulfonylethyl)-3-N,3-N-dimethyl-4-methylsulfonylpyrazole-3,5-diamine
SMILESCCS(=O)(=O)CCn1nc(N(C)C)c(S(C)(=O)=O)c1N
InChIInChI=1S/C10H20N4O4S2/c1-5-20(17,18)7-6-14-9(11)8(19(4,15)16)10(12-14)13(2)3/h5-7,11H2,1-4H3
InChIKeyBHYVJCCROKLUGY-UHFFFAOYSA-N
MW324.43 g/mol
LogP-0.63
Rot. Bonds6

About 1-(2-ethylsulfonylethyl)-3-N,3-N-dimethyl-4-methylsulfonylpyrazole-3,5-diamine

1-(2-ethylsulfonylethyl)-3-N,3-N-dimethyl-4-methylsulfonylpyrazole-3,5-diamine (PubChem CID 102826350) has the molecular formula C10H20N4O4S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is 1-(2-ethylsulfonylethyl)-3-N,3-N-dimethyl-4-methylsulfonylpyrazole-3,5-diamine.

Molecular Properties

Compound Name1-(2-ethylsulfonylethyl)-3-N,3-N-dimethyl-4-methylsulfonylpyrazole-3,5-diamine
PubChem CID102826350
Molecular FormulaC10H20N4O4S2
Molecular Weight324.43 g/mol
Exact Mass324.09
IUPAC Name1-(2-ethylsulfonylethyl)-3-N,3-N-dimethyl-4-methylsulfonylpyrazole-3,5-diamine
SMILESCCS(=O)(=O)CCn1nc(N(C)C)c(S(C)(=O)=O)c1N
InChIInChI=1S/C10H20N4O4S2/c1-5-20(17,18)7-6-14-9(11)8(19(4,15)16)10(12-14)13(2)3/h5-7,11H2,1-4H3
InChIKeyBHYVJCCROKLUGY-UHFFFAOYSA-N
XLogP-0.63
TPSA115.36 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylsulfonylethyl)-3-N,3-N-dimethyl-4-methylsulfonylpyrazole-3,5-diamine?
The IUPAC name of 1-(2-ethylsulfonylethyl)-3-N,3-N-dimethyl-4-methylsulfonylpyrazole-3,5-diamine (CID 102826350) is 1-(2-ethylsulfonylethyl)-3-N,3-N-dimethyl-4-methylsulfonylpyrazole-3,5-diamine.
What is the SMILES notation for 1-(2-ethylsulfonylethyl)-3-N,3-N-dimethyl-4-methylsulfonylpyrazole-3,5-diamine?
The canonical SMILES for 1-(2-ethylsulfonylethyl)-3-N,3-N-dimethyl-4-methylsulfonylpyrazole-3,5-diamine is CCS(=O)(=O)CCn1nc(N(C)C)c(S(C)(=O)=O)c1N.
What is the InChIKey of 1-(2-ethylsulfonylethyl)-3-N,3-N-dimethyl-4-methylsulfonylpyrazole-3,5-diamine?
The InChIKey is BHYVJCCROKLUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O4S2/c1-5-20(17,18)7-6-14-9(11)8(19(4,15)16)10(12-14)13(2)3/h5-7,11H2,1-4H3.
What are the key properties of 1-(2-ethylsulfonylethyl)-3-N,3-N-dimethyl-4-methylsulfonylpyrazole-3,5-diamine?
1-(2-ethylsulfonylethyl)-3-N,3-N-dimethyl-4-methylsulfonylpyrazole-3,5-diamine has a molecular weight of 324.43 g/mol, XLogP of -0.63, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylsulfonylethyl)-3-N,3-N-dimethyl-4-methylsulfonylpyrazole-3,5-diamine is sourced from PubChem (CID 102826350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).