N-[2-(1-methylpyrazol-4-yl)ethyl]-4-methylsulfanylbutan-1-amine

C11H21N3S — CID 103002144

IUPACN-[2-(1-methylpyrazol-4-yl)ethyl]-4-methylsulfanylbutan-1-amine
SMILESCSCCCCNCCc1cnn(C)c1
InChIInChI=1S/C11H21N3S/c1-14-10-11(9-13-14)5-7-12-6-3-4-8-15-2/h9-10,12H,3-8H2,1-2H3
InChIKeyYIZDXARVXSIRSO-UHFFFAOYSA-N
MW227.38 g/mol
LogP1.70
Rot. Bonds8

About N-[2-(1-methylpyrazol-4-yl)ethyl]-4-methylsulfanylbutan-1-amine

N-[2-(1-methylpyrazol-4-yl)ethyl]-4-methylsulfanylbutan-1-amine (PubChem CID 103002144) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is N-[2-(1-methylpyrazol-4-yl)ethyl]-4-methylsulfanylbutan-1-amine.

Molecular Properties

Compound NameN-[2-(1-methylpyrazol-4-yl)ethyl]-4-methylsulfanylbutan-1-amine
PubChem CID103002144
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC NameN-[2-(1-methylpyrazol-4-yl)ethyl]-4-methylsulfanylbutan-1-amine
SMILESCSCCCCNCCc1cnn(C)c1
InChIInChI=1S/C11H21N3S/c1-14-10-11(9-13-14)5-7-12-6-3-4-8-15-2/h9-10,12H,3-8H2,1-2H3
InChIKeyYIZDXARVXSIRSO-UHFFFAOYSA-N
XLogP1.70
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-N-[2-(1-methylpyrazol-4-yl)ethyl]hexan-1-amine
CID 107844230
3-cyclopropyl-N-[2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 103002222
N-[2-(1-methylpyrazol-4-yl)ethyl]-2-pyridin-4-ylethanamine
CID 80688590
1-ethyl-3-[2-(1-methylpyrazol-4-yl)ethyl]-2-(4-methylsulfanylbutyl)guanidine;hydroiodide
CID 111627689
N'-hydroxy-4-[2-(1-methylpyrazol-4-yl)ethylamino]butanimidamide
CID 80683127
3-imidazol-1-yl-N-[2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 80689787
N,N-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethylamino]butanamide
CID 80689002
2,2-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethylamino]butanenitrile
CID 80688978
2-(1-methylpyrazol-4-yl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 79003445
2,2-dimethyl-N-[4-(1-methylpyrazol-4-yl)butyl]propan-1-amine;hydrochloride
CID 115610520
2-(1-methylpyrazol-3-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 106104866
N-[2-(4-fluorophenyl)ethyl]-4-methylsulfanylbutan-1-amine
CID 103953532

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpyrazol-4-yl)ethyl]-4-methylsulfanylbutan-1-amine?
The IUPAC name of N-[2-(1-methylpyrazol-4-yl)ethyl]-4-methylsulfanylbutan-1-amine (CID 103002144) is N-[2-(1-methylpyrazol-4-yl)ethyl]-4-methylsulfanylbutan-1-amine.
What is the SMILES notation for N-[2-(1-methylpyrazol-4-yl)ethyl]-4-methylsulfanylbutan-1-amine?
The canonical SMILES for N-[2-(1-methylpyrazol-4-yl)ethyl]-4-methylsulfanylbutan-1-amine is CSCCCCNCCc1cnn(C)c1.
What is the InChIKey of N-[2-(1-methylpyrazol-4-yl)ethyl]-4-methylsulfanylbutan-1-amine?
The InChIKey is YIZDXARVXSIRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S/c1-14-10-11(9-13-14)5-7-12-6-3-4-8-15-2/h9-10,12H,3-8H2,1-2H3.
What are the key properties of N-[2-(1-methylpyrazol-4-yl)ethyl]-4-methylsulfanylbutan-1-amine?
N-[2-(1-methylpyrazol-4-yl)ethyl]-4-methylsulfanylbutan-1-amine has a molecular weight of 227.38 g/mol, XLogP of 1.70, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpyrazol-4-yl)ethyl]-4-methylsulfanylbutan-1-amine is sourced from PubChem (CID 103002144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).