1,3-dimethyl-5-propylsulfonylpyrazol-4-amine

C8H15N3O2S — CID 43553928

IUPAC1,3-dimethyl-5-propylsulfonylpyrazol-4-amine
SMILESCCCS(=O)(=O)c1c(N)c(C)nn1C
InChIInChI=1S/C8H15N3O2S/c1-4-5-14(12,13)8-7(9)6(2)10-11(8)3/h4-5,9H2,1-3H3
InChIKeyLOWGTMIAWHGKRE-UHFFFAOYSA-N
MW217.29 g/mol
LogP0.49
Rot. Bonds3

About 1,3-dimethyl-5-propylsulfonylpyrazol-4-amine

1,3-dimethyl-5-propylsulfonylpyrazol-4-amine (PubChem CID 43553928) has the molecular formula C8H15N3O2S and a molecular weight of 217.29 g/mol. Its IUPAC name is 1,3-dimethyl-5-propylsulfonylpyrazol-4-amine.

Molecular Properties

Compound Name1,3-dimethyl-5-propylsulfonylpyrazol-4-amine
PubChem CID43553928
Molecular FormulaC8H15N3O2S
Molecular Weight217.29 g/mol
Exact Mass217.09
IUPAC Name1,3-dimethyl-5-propylsulfonylpyrazol-4-amine
SMILESCCCS(=O)(=O)c1c(N)c(C)nn1C
InChIInChI=1S/C8H15N3O2S/c1-4-5-14(12,13)8-7(9)6(2)10-11(8)3/h4-5,9H2,1-3H3
InChIKeyLOWGTMIAWHGKRE-UHFFFAOYSA-N
XLogP0.49
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1,3-dimethyl-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 1,3-dimethyl-5-propylsulfonylpyrazol-4-amine?
The IUPAC name of 1,3-dimethyl-5-propylsulfonylpyrazol-4-amine (CID 43553928) is 1,3-dimethyl-5-propylsulfonylpyrazol-4-amine.
What is the SMILES notation for 1,3-dimethyl-5-propylsulfonylpyrazol-4-amine?
The canonical SMILES for 1,3-dimethyl-5-propylsulfonylpyrazol-4-amine is CCCS(=O)(=O)c1c(N)c(C)nn1C.
What is the InChIKey of 1,3-dimethyl-5-propylsulfonylpyrazol-4-amine?
The InChIKey is LOWGTMIAWHGKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2S/c1-4-5-14(12,13)8-7(9)6(2)10-11(8)3/h4-5,9H2,1-3H3.
What are the key properties of 1,3-dimethyl-5-propylsulfonylpyrazol-4-amine?
1,3-dimethyl-5-propylsulfonylpyrazol-4-amine has a molecular weight of 217.29 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-propylsulfonylpyrazol-4-amine is sourced from PubChem (CID 43553928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).