2-[5-(2-ethylsulfanyl-1-hydrazinylethyl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine

C12H25N5OS — CID 105225559

IUPAC2-[5-(2-ethylsulfanyl-1-hydrazinylethyl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
SMILESCCSCC(NN)c1c(OC)cnn1CCN(C)C
InChIInChI=1S/C12H25N5OS/c1-5-19-9-10(15-13)12-11(18-4)8-14-17(12)7-6-16(2)3/h8,10,15H,5-7,9,13H2,1-4H3
InChIKeyPIINJCBEUIDYLG-UHFFFAOYSA-N
MW287.43 g/mol
LogP0.71
Rot. Bonds9

About 2-[5-(2-ethylsulfanyl-1-hydrazinylethyl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine

2-[5-(2-ethylsulfanyl-1-hydrazinylethyl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine (PubChem CID 105225559) has the molecular formula C12H25N5OS and a molecular weight of 287.43 g/mol. Its IUPAC name is 2-[5-(2-ethylsulfanyl-1-hydrazinylethyl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[5-(2-ethylsulfanyl-1-hydrazinylethyl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
PubChem CID105225559
Molecular FormulaC12H25N5OS
Molecular Weight287.43 g/mol
Exact Mass287.18
IUPAC Name2-[5-(2-ethylsulfanyl-1-hydrazinylethyl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
SMILESCCSCC(NN)c1c(OC)cnn1CCN(C)C
InChIInChI=1S/C12H25N5OS/c1-5-19-9-10(15-13)12-11(18-4)8-14-17(12)7-6-16(2)3/h8,10,15H,5-7,9,13H2,1-4H3
InChIKeyPIINJCBEUIDYLG-UHFFFAOYSA-N
XLogP0.71
TPSA68.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-ethylsulfanyl-1-(4-methoxy-1-propylpyrazol-5-yl)ethyl]hydrazine
CID 105225373
2-[5-(1-hydrazinyl-4-methoxypentyl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
CID 105336045
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-methyl-2-(2-methylpropylsulfanyl)ethanamine
CID 114653881
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-ethyl-2-methylsulfanylethanamine
CID 114649780
2-[4-methoxy-5-(2,2,2-trifluoro-1-hydrazinylethyl)pyrazol-1-yl]-N,N-dimethylethanamine
CID 105215882
2-[5-[1-hydrazinyl-2-(oxolan-2-yl)ethyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
CID 105198802
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-ethylbut-3-en-1-amine
CID 114660836
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]ethanamine
CID 114646809
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N,2-dimethylbutan-1-amine
CID 114651696
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N,3-dimethylpentan-1-amine
CID 105039863
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-propylbut-3-en-1-amine
CID 114660849
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 114648480

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-ethylsulfanyl-1-hydrazinylethyl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[5-(2-ethylsulfanyl-1-hydrazinylethyl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine (CID 105225559) is 2-[5-(2-ethylsulfanyl-1-hydrazinylethyl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[5-(2-ethylsulfanyl-1-hydrazinylethyl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[5-(2-ethylsulfanyl-1-hydrazinylethyl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine is CCSCC(NN)c1c(OC)cnn1CCN(C)C.
What is the InChIKey of 2-[5-(2-ethylsulfanyl-1-hydrazinylethyl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine?
The InChIKey is PIINJCBEUIDYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N5OS/c1-5-19-9-10(15-13)12-11(18-4)8-14-17(12)7-6-16(2)3/h8,10,15H,5-7,9,13H2,1-4H3.
What are the key properties of 2-[5-(2-ethylsulfanyl-1-hydrazinylethyl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine?
2-[5-(2-ethylsulfanyl-1-hydrazinylethyl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine has a molecular weight of 287.43 g/mol, XLogP of 0.71, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-ethylsulfanyl-1-hydrazinylethyl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 105225559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).