1-(2-ethylsulfonylethyl)-3,5-dimethylpyrazol-4-amine

C9H17N3O2S — CID 43807775

IUPAC1-(2-ethylsulfonylethyl)-3,5-dimethylpyrazol-4-amine
SMILESCCS(=O)(=O)CCn1nc(C)c(N)c1C
InChIInChI=1S/C9H17N3O2S/c1-4-15(13,14)6-5-12-8(3)9(10)7(2)11-12/h4-6,10H2,1-3H3
InChIKeyDJSXKGRDRGLLCZ-UHFFFAOYSA-N
MW231.32 g/mol
LogP0.52
Rot. Bonds4

About 1-(2-ethylsulfonylethyl)-3,5-dimethylpyrazol-4-amine

1-(2-ethylsulfonylethyl)-3,5-dimethylpyrazol-4-amine (PubChem CID 43807775) has the molecular formula C9H17N3O2S and a molecular weight of 231.32 g/mol. Its IUPAC name is 1-(2-ethylsulfonylethyl)-3,5-dimethylpyrazol-4-amine.

Molecular Properties

Compound Name1-(2-ethylsulfonylethyl)-3,5-dimethylpyrazol-4-amine
PubChem CID43807775
Molecular FormulaC9H17N3O2S
Molecular Weight231.32 g/mol
Exact Mass231.10
IUPAC Name1-(2-ethylsulfonylethyl)-3,5-dimethylpyrazol-4-amine
SMILESCCS(=O)(=O)CCn1nc(C)c(N)c1C
InChIInChI=1S/C9H17N3O2S/c1-4-15(13,14)6-5-12-8(3)9(10)7(2)11-12/h4-6,10H2,1-3H3
InChIKeyDJSXKGRDRGLLCZ-UHFFFAOYSA-N
XLogP0.52
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylsulfonylethyl)-3,5-dimethylpyrazol-4-amine?
The IUPAC name of 1-(2-ethylsulfonylethyl)-3,5-dimethylpyrazol-4-amine (CID 43807775) is 1-(2-ethylsulfonylethyl)-3,5-dimethylpyrazol-4-amine.
What is the SMILES notation for 1-(2-ethylsulfonylethyl)-3,5-dimethylpyrazol-4-amine?
The canonical SMILES for 1-(2-ethylsulfonylethyl)-3,5-dimethylpyrazol-4-amine is CCS(=O)(=O)CCn1nc(C)c(N)c1C.
What is the InChIKey of 1-(2-ethylsulfonylethyl)-3,5-dimethylpyrazol-4-amine?
The InChIKey is DJSXKGRDRGLLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S/c1-4-15(13,14)6-5-12-8(3)9(10)7(2)11-12/h4-6,10H2,1-3H3.
What are the key properties of 1-(2-ethylsulfonylethyl)-3,5-dimethylpyrazol-4-amine?
1-(2-ethylsulfonylethyl)-3,5-dimethylpyrazol-4-amine has a molecular weight of 231.32 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylsulfonylethyl)-3,5-dimethylpyrazol-4-amine is sourced from PubChem (CID 43807775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).