2-[5-(2-butan-2-ylsulfanyl-1-hydrazinylethyl)-4-chloropyrazol-1-yl]-N,N-dimethylethanamine

C13H26ClN5S — CID 105227166

IUPAC2-[5-(2-butan-2-ylsulfanyl-1-hydrazinylethyl)-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
SMILESCCC(C)SCC(NN)c1c(Cl)cnn1CCN(C)C
InChIInChI=1S/C13H26ClN5S/c1-5-10(2)20-9-12(17-15)13-11(14)8-16-19(13)7-6-18(3)4/h8,10,12,17H,5-7,9,15H2,1-4H3
InChIKeyUAUJOGHWUROCEE-UHFFFAOYSA-N
MW319.91 g/mol
LogP2.13
Rot. Bonds9

About 2-[5-(2-butan-2-ylsulfanyl-1-hydrazinylethyl)-4-chloropyrazol-1-yl]-N,N-dimethylethanamine

2-[5-(2-butan-2-ylsulfanyl-1-hydrazinylethyl)-4-chloropyrazol-1-yl]-N,N-dimethylethanamine (PubChem CID 105227166) has the molecular formula C13H26ClN5S and a molecular weight of 319.91 g/mol. Its IUPAC name is 2-[5-(2-butan-2-ylsulfanyl-1-hydrazinylethyl)-4-chloropyrazol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[5-(2-butan-2-ylsulfanyl-1-hydrazinylethyl)-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
PubChem CID105227166
Molecular FormulaC13H26ClN5S
Molecular Weight319.91 g/mol
Exact Mass319.16
IUPAC Name2-[5-(2-butan-2-ylsulfanyl-1-hydrazinylethyl)-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
SMILESCCC(C)SCC(NN)c1c(Cl)cnn1CCN(C)C
InChIInChI=1S/C13H26ClN5S/c1-5-10(2)20-9-12(17-15)13-11(14)8-16-19(13)7-6-18(3)4/h8,10,12,17H,5-7,9,15H2,1-4H3
InChIKeyUAUJOGHWUROCEE-UHFFFAOYSA-N
XLogP2.13
TPSA59.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.91
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-butan-2-ylsulfanyl-1-(4-chloro-1-methylpyrazol-5-yl)ethyl]hydrazine
CID 105227220
2-[4-chloro-5-(2-ethoxy-1-hydrazinylethyl)pyrazol-1-yl]-N,N-dimethylethanamine
CID 105235309
2-[4-chloro-5-(1-hydrazinyl-2-propoxyethyl)pyrazol-1-yl]-N,N-dimethylethanamine
CID 105210023
N-[1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-ethylsulfanylethyl]propan-1-amine
CID 114653523
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]hexan-1-amine
CID 105039116
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2,3-dimethylbutan-1-amine
CID 105039130
2-[4-chloro-5-[(4-chlorophenyl)-hydrazinylmethyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105193337
2-[4-chloro-5-[(2-chlorophenyl)-hydrazinylmethyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105211079
2-[5-(2-ethylsulfanyl-1-hydrazinylethyl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
CID 105225559
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2,2-difluoroethanamine
CID 103517108
2-[4-bromo-5-(2-tert-butylsulfanyl-1-hydrazinylethyl)pyrazol-1-yl]-N,N-dimethylethanamine
CID 105226390
2-[4-chloro-5-[hydrazinyl-(5-methylpyrimidin-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105261547

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-butan-2-ylsulfanyl-1-hydrazinylethyl)-4-chloropyrazol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[5-(2-butan-2-ylsulfanyl-1-hydrazinylethyl)-4-chloropyrazol-1-yl]-N,N-dimethylethanamine (CID 105227166) is 2-[5-(2-butan-2-ylsulfanyl-1-hydrazinylethyl)-4-chloropyrazol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[5-(2-butan-2-ylsulfanyl-1-hydrazinylethyl)-4-chloropyrazol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[5-(2-butan-2-ylsulfanyl-1-hydrazinylethyl)-4-chloropyrazol-1-yl]-N,N-dimethylethanamine is CCC(C)SCC(NN)c1c(Cl)cnn1CCN(C)C.
What is the InChIKey of 2-[5-(2-butan-2-ylsulfanyl-1-hydrazinylethyl)-4-chloropyrazol-1-yl]-N,N-dimethylethanamine?
The InChIKey is UAUJOGHWUROCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26ClN5S/c1-5-10(2)20-9-12(17-15)13-11(14)8-16-19(13)7-6-18(3)4/h8,10,12,17H,5-7,9,15H2,1-4H3.
What are the key properties of 2-[5-(2-butan-2-ylsulfanyl-1-hydrazinylethyl)-4-chloropyrazol-1-yl]-N,N-dimethylethanamine?
2-[5-(2-butan-2-ylsulfanyl-1-hydrazinylethyl)-4-chloropyrazol-1-yl]-N,N-dimethylethanamine has a molecular weight of 319.91 g/mol, XLogP of 2.13, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-butan-2-ylsulfanyl-1-hydrazinylethyl)-4-chloropyrazol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 105227166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).