5-ethylsulfonyl-1,3-dimethylpyrazol-4-amine

C7H13N3O2S — CID 43553926

IUPAC5-ethylsulfonyl-1,3-dimethylpyrazol-4-amine
SMILESCCS(=O)(=O)c1c(N)c(C)nn1C
InChIInChI=1S/C7H13N3O2S/c1-4-13(11,12)7-6(8)5(2)9-10(7)3/h4,8H2,1-3H3
InChIKeyCRHKWSIZWQFMAD-UHFFFAOYSA-N
MW203.27 g/mol
LogP0.10
Rot. Bonds2

About 5-ethylsulfonyl-1,3-dimethylpyrazol-4-amine

5-ethylsulfonyl-1,3-dimethylpyrazol-4-amine (PubChem CID 43553926) has the molecular formula C7H13N3O2S and a molecular weight of 203.27 g/mol. Its IUPAC name is 5-ethylsulfonyl-1,3-dimethylpyrazol-4-amine.

Molecular Properties

Compound Name5-ethylsulfonyl-1,3-dimethylpyrazol-4-amine
PubChem CID43553926
Molecular FormulaC7H13N3O2S
Molecular Weight203.27 g/mol
Exact Mass203.07
IUPAC Name5-ethylsulfonyl-1,3-dimethylpyrazol-4-amine
SMILESCCS(=O)(=O)c1c(N)c(C)nn1C
InChIInChI=1S/C7H13N3O2S/c1-4-13(11,12)7-6(8)5(2)9-10(7)3/h4,8H2,1-3H3
InChIKeyCRHKWSIZWQFMAD-UHFFFAOYSA-N
XLogP0.10
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfonyl-1,3-dimethylpyrazol-4-amine?
The IUPAC name of 5-ethylsulfonyl-1,3-dimethylpyrazol-4-amine (CID 43553926) is 5-ethylsulfonyl-1,3-dimethylpyrazol-4-amine.
What is the SMILES notation for 5-ethylsulfonyl-1,3-dimethylpyrazol-4-amine?
The canonical SMILES for 5-ethylsulfonyl-1,3-dimethylpyrazol-4-amine is CCS(=O)(=O)c1c(N)c(C)nn1C.
What is the InChIKey of 5-ethylsulfonyl-1,3-dimethylpyrazol-4-amine?
The InChIKey is CRHKWSIZWQFMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2S/c1-4-13(11,12)7-6(8)5(2)9-10(7)3/h4,8H2,1-3H3.
What are the key properties of 5-ethylsulfonyl-1,3-dimethylpyrazol-4-amine?
5-ethylsulfonyl-1,3-dimethylpyrazol-4-amine has a molecular weight of 203.27 g/mol, XLogP of 0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfonyl-1,3-dimethylpyrazol-4-amine is sourced from PubChem (CID 43553926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).