1-(5-butylsulfanyl-1,3-dimethylpyrazol-4-yl)-N-methylmethanamine

C11H21N3S — CID 63809428

IUPAC1-(5-butylsulfanyl-1,3-dimethylpyrazol-4-yl)-N-methylmethanamine
SMILESCCCCSc1c(CNC)c(C)nn1C
InChIInChI=1S/C11H21N3S/c1-5-6-7-15-11-10(8-12-3)9(2)13-14(11)4/h12H,5-8H2,1-4H3
InChIKeyQAFCYEYUAXGVKN-UHFFFAOYSA-N
MW227.38 g/mol
LogP2.34
Rot. Bonds6

About 1-(5-butylsulfanyl-1,3-dimethylpyrazol-4-yl)-N-methylmethanamine

1-(5-butylsulfanyl-1,3-dimethylpyrazol-4-yl)-N-methylmethanamine (PubChem CID 63809428) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is 1-(5-butylsulfanyl-1,3-dimethylpyrazol-4-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-butylsulfanyl-1,3-dimethylpyrazol-4-yl)-N-methylmethanamine
PubChem CID63809428
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC Name1-(5-butylsulfanyl-1,3-dimethylpyrazol-4-yl)-N-methylmethanamine
SMILESCCCCSc1c(CNC)c(C)nn1C
InChIInChI=1S/C11H21N3S/c1-5-6-7-15-11-10(8-12-3)9(2)13-14(11)4/h12H,5-8H2,1-4H3
InChIKeyQAFCYEYUAXGVKN-UHFFFAOYSA-N
XLogP2.34
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(5-butylsulfanyl-1,3-dimethylpyrazol-4-yl)-N-methylmethanamine 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-(5-butylsulfanyl-1,3-dimethylpyrazol-4-yl)-N-methylmethanamine?
The IUPAC name of 1-(5-butylsulfanyl-1,3-dimethylpyrazol-4-yl)-N-methylmethanamine (CID 63809428) is 1-(5-butylsulfanyl-1,3-dimethylpyrazol-4-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-butylsulfanyl-1,3-dimethylpyrazol-4-yl)-N-methylmethanamine?
The canonical SMILES for 1-(5-butylsulfanyl-1,3-dimethylpyrazol-4-yl)-N-methylmethanamine is CCCCSc1c(CNC)c(C)nn1C.
What is the InChIKey of 1-(5-butylsulfanyl-1,3-dimethylpyrazol-4-yl)-N-methylmethanamine?
The InChIKey is QAFCYEYUAXGVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S/c1-5-6-7-15-11-10(8-12-3)9(2)13-14(11)4/h12H,5-8H2,1-4H3.
What are the key properties of 1-(5-butylsulfanyl-1,3-dimethylpyrazol-4-yl)-N-methylmethanamine?
1-(5-butylsulfanyl-1,3-dimethylpyrazol-4-yl)-N-methylmethanamine has a molecular weight of 227.38 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-butylsulfanyl-1,3-dimethylpyrazol-4-yl)-N-methylmethanamine is sourced from PubChem (CID 63809428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).