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

C8H15N3OS — CID 43554554

IUPAC5-(2-methoxyethylsulfanyl)-1,3-dimethylpyrazol-4-amine
SMILESCOCCSc1c(N)c(C)nn1C
InChIInChI=1S/C8H15N3OS/c1-6-7(9)8(11(2)10-6)13-5-4-12-3/h4-5,9H2,1-3H3
InChIKeyDEMWJKSNAIJGQG-UHFFFAOYSA-N
MW201.29 g/mol
LogP1.05
Rot. Bonds4

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

5-(2-methoxyethylsulfanyl)-1,3-dimethylpyrazol-4-amine (PubChem CID 43554554) has the molecular formula C8H15N3OS and a molecular weight of 201.29 g/mol. Its IUPAC name is 5-(2-methoxyethylsulfanyl)-1,3-dimethylpyrazol-4-amine.

Molecular Properties

Compound Name5-(2-methoxyethylsulfanyl)-1,3-dimethylpyrazol-4-amine
PubChem CID43554554
Molecular FormulaC8H15N3OS
Molecular Weight201.29 g/mol
Exact Mass201.09
IUPAC Name5-(2-methoxyethylsulfanyl)-1,3-dimethylpyrazol-4-amine
SMILESCOCCSc1c(N)c(C)nn1C
InChIInChI=1S/C8H15N3OS/c1-6-7(9)8(11(2)10-6)13-5-4-12-3/h4-5,9H2,1-3H3
InChIKeyDEMWJKSNAIJGQG-UHFFFAOYSA-N
XLogP1.05
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-(2-methoxyethylsulfanyl)-1,3-dimethylpyrazol-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 5-(2-methoxyethylsulfanyl)-1,3-dimethylpyrazol-4-amine?
The IUPAC name of 5-(2-methoxyethylsulfanyl)-1,3-dimethylpyrazol-4-amine (CID 43554554) is 5-(2-methoxyethylsulfanyl)-1,3-dimethylpyrazol-4-amine.
What is the SMILES notation for 5-(2-methoxyethylsulfanyl)-1,3-dimethylpyrazol-4-amine?
The canonical SMILES for 5-(2-methoxyethylsulfanyl)-1,3-dimethylpyrazol-4-amine is COCCSc1c(N)c(C)nn1C.
What is the InChIKey of 5-(2-methoxyethylsulfanyl)-1,3-dimethylpyrazol-4-amine?
The InChIKey is DEMWJKSNAIJGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS/c1-6-7(9)8(11(2)10-6)13-5-4-12-3/h4-5,9H2,1-3H3.
What are the key properties of 5-(2-methoxyethylsulfanyl)-1,3-dimethylpyrazol-4-amine?
5-(2-methoxyethylsulfanyl)-1,3-dimethylpyrazol-4-amine has a molecular weight of 201.29 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethylsulfanyl)-1,3-dimethylpyrazol-4-amine is sourced from PubChem (CID 43554554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).