1-ethyl-3-methyl-5-propylsulfonylpyrazol-4-amine

C9H17N3O2S — CID 66012379

IUPAC1-ethyl-3-methyl-5-propylsulfonylpyrazol-4-amine
SMILESCCCS(=O)(=O)c1c(N)c(C)nn1CC
InChIInChI=1S/C9H17N3O2S/c1-4-6-15(13,14)9-8(10)7(3)11-12(9)5-2/h4-6,10H2,1-3H3
InChIKeyQMYFJDKTGFEOEY-UHFFFAOYSA-N
MW231.32 g/mol
LogP0.98
Rot. Bonds4

About 1-ethyl-3-methyl-5-propylsulfonylpyrazol-4-amine

1-ethyl-3-methyl-5-propylsulfonylpyrazol-4-amine (PubChem CID 66012379) has the molecular formula C9H17N3O2S and a molecular weight of 231.32 g/mol. Its IUPAC name is 1-ethyl-3-methyl-5-propylsulfonylpyrazol-4-amine.

Molecular Properties

Compound Name1-ethyl-3-methyl-5-propylsulfonylpyrazol-4-amine
PubChem CID66012379
Molecular FormulaC9H17N3O2S
Molecular Weight231.32 g/mol
Exact Mass231.10
IUPAC Name1-ethyl-3-methyl-5-propylsulfonylpyrazol-4-amine
SMILESCCCS(=O)(=O)c1c(N)c(C)nn1CC
InChIInChI=1S/C9H17N3O2S/c1-4-6-15(13,14)9-8(10)7(3)11-12(9)5-2/h4-6,10H2,1-3H3
InChIKeyQMYFJDKTGFEOEY-UHFFFAOYSA-N
XLogP0.98
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 ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-ethyl-3-methyl-5-propylsulfonylpyrazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-5-propylsulfonylpyrazol-4-amine?
The IUPAC name of 1-ethyl-3-methyl-5-propylsulfonylpyrazol-4-amine (CID 66012379) is 1-ethyl-3-methyl-5-propylsulfonylpyrazol-4-amine.
What is the SMILES notation for 1-ethyl-3-methyl-5-propylsulfonylpyrazol-4-amine?
The canonical SMILES for 1-ethyl-3-methyl-5-propylsulfonylpyrazol-4-amine is CCCS(=O)(=O)c1c(N)c(C)nn1CC.
What is the InChIKey of 1-ethyl-3-methyl-5-propylsulfonylpyrazol-4-amine?
The InChIKey is QMYFJDKTGFEOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S/c1-4-6-15(13,14)9-8(10)7(3)11-12(9)5-2/h4-6,10H2,1-3H3.
What are the key properties of 1-ethyl-3-methyl-5-propylsulfonylpyrazol-4-amine?
1-ethyl-3-methyl-5-propylsulfonylpyrazol-4-amine has a molecular weight of 231.32 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-5-propylsulfonylpyrazol-4-amine is sourced from PubChem (CID 66012379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).