2-butylsulfanyl-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide

C11H19N3OS — CID 43397444

IUPAC2-butylsulfanyl-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
SMILESCCCCSCC(=O)Nc1c(C)n[nH]c1C
InChIInChI=1S/C11H19N3OS/c1-4-5-6-16-7-10(15)12-11-8(2)13-14-9(11)3/h4-7H2,1-3H3,(H,12,15)(H,13,14)
InChIKeyLQYAQEHUZRDIQJ-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.50
Rot. Bonds6

About 2-butylsulfanyl-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide

2-butylsulfanyl-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide (PubChem CID 43397444) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 2-butylsulfanyl-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-butylsulfanyl-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
PubChem CID43397444
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name2-butylsulfanyl-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
SMILESCCCCSCC(=O)Nc1c(C)n[nH]c1C
InChIInChI=1S/C11H19N3OS/c1-4-5-6-16-7-10(15)12-11-8(2)13-14-9(11)3/h4-7H2,1-3H3,(H,12,15)(H,13,14)
InChIKeyLQYAQEHUZRDIQJ-UHFFFAOYSA-N
XLogP2.50
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-butylsulfanyl-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide 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 2-butylsulfanyl-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The IUPAC name of 2-butylsulfanyl-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide (CID 43397444) is 2-butylsulfanyl-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide.
What is the SMILES notation for 2-butylsulfanyl-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The canonical SMILES for 2-butylsulfanyl-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide is CCCCSCC(=O)Nc1c(C)n[nH]c1C.
What is the InChIKey of 2-butylsulfanyl-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The InChIKey is LQYAQEHUZRDIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-4-5-6-16-7-10(15)12-11-8(2)13-14-9(11)3/h4-7H2,1-3H3,(H,12,15)(H,13,14).
What are the key properties of 2-butylsulfanyl-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
2-butylsulfanyl-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide has a molecular weight of 241.36 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylsulfanyl-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide is sourced from PubChem (CID 43397444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).