[2-(1-butan-2-ylpyrazol-3-yl)-1-(1,4-dithian-2-yl)ethyl]hydrazine

C13H24N4S2 — CID 105249347

IUPAC[2-(1-butan-2-ylpyrazol-3-yl)-1-(1,4-dithian-2-yl)ethyl]hydrazine
SMILESCCC(C)n1ccc(CC(NN)C2CSCCS2)n1
InChIInChI=1S/C13H24N4S2/c1-3-10(2)17-5-4-11(16-17)8-12(15-14)13-9-18-6-7-19-13/h4-5,10,12-13,15H,3,6-9,14H2,1-2H3
InChIKeyLBYPHILMVODRMZ-UHFFFAOYSA-N
MW300.50 g/mol
LogP2.08
Rot. Bonds6

About [2-(1-butan-2-ylpyrazol-3-yl)-1-(1,4-dithian-2-yl)ethyl]hydrazine

[2-(1-butan-2-ylpyrazol-3-yl)-1-(1,4-dithian-2-yl)ethyl]hydrazine (PubChem CID 105249347) has the molecular formula C13H24N4S2 and a molecular weight of 300.50 g/mol. Its IUPAC name is [2-(1-butan-2-ylpyrazol-3-yl)-1-(1,4-dithian-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(1-butan-2-ylpyrazol-3-yl)-1-(1,4-dithian-2-yl)ethyl]hydrazine
PubChem CID105249347
Molecular FormulaC13H24N4S2
Molecular Weight300.50 g/mol
Exact Mass300.14
IUPAC Name[2-(1-butan-2-ylpyrazol-3-yl)-1-(1,4-dithian-2-yl)ethyl]hydrazine
SMILESCCC(C)n1ccc(CC(NN)C2CSCCS2)n1
InChIInChI=1S/C13H24N4S2/c1-3-10(2)17-5-4-11(16-17)8-12(15-14)13-9-18-6-7-19-13/h4-5,10,12-13,15H,3,6-9,14H2,1-2H3
InChIKeyLBYPHILMVODRMZ-UHFFFAOYSA-N
XLogP2.08
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.50
LogP ≤ 52.08
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-(1-butan-2-ylpyrazol-3-yl)-1-(3-ethyl-1,4-dithian-2-yl)ethyl]hydrazine
CID 105259953
[2-(1-cyclopentylpyrazol-3-yl)-1-(1,4-dithian-2-yl)ethyl]hydrazine
CID 105249246
[2-(1-butan-2-ylpyrazol-3-yl)-1-cyclooctylethyl]hydrazine
CID 105255154
[2-(1,3-diethylpyrazol-5-yl)-1-(1,4-dithian-2-yl)ethyl]hydrazine
CID 105249387
[2-(1-butan-2-ylpyrazol-3-yl)-1-(oxolan-3-yl)ethyl]hydrazine
CID 105229429
2-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-1-(1,4-oxathian-2-yl)ethanamine
CID 79962351
[1-(1-butan-2-ylpyrazol-3-yl)-3-cyclopropylbutan-2-yl]hydrazine
CID 105312549
[2-(5-bromo-2-pyridinyl)-1-(1,4-dithian-2-yl)ethyl]hydrazine
CID 105249250
2-(1-cyclopentylpyrazol-3-yl)-1-(1,4-dithian-2-yl)-N-ethylethanamine
CID 79961112
[1-(1,4-dithian-2-yl)-2-(4-methylphenyl)ethyl]hydrazine
CID 105249365
2-(1-butan-2-ylpyrazol-3-yl)-1-(3-methyl-1,4-dithian-2-yl)ethanol
CID 115386246
[2-(4-chlorophenyl)-1-(1,4-dithian-2-yl)ethyl]hydrazine
CID 105249447

Frequently Asked Questions

What is the IUPAC name of [2-(1-butan-2-ylpyrazol-3-yl)-1-(1,4-dithian-2-yl)ethyl]hydrazine?
The IUPAC name of [2-(1-butan-2-ylpyrazol-3-yl)-1-(1,4-dithian-2-yl)ethyl]hydrazine (CID 105249347) is [2-(1-butan-2-ylpyrazol-3-yl)-1-(1,4-dithian-2-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(1-butan-2-ylpyrazol-3-yl)-1-(1,4-dithian-2-yl)ethyl]hydrazine?
The canonical SMILES for [2-(1-butan-2-ylpyrazol-3-yl)-1-(1,4-dithian-2-yl)ethyl]hydrazine is CCC(C)n1ccc(CC(NN)C2CSCCS2)n1.
What is the InChIKey of [2-(1-butan-2-ylpyrazol-3-yl)-1-(1,4-dithian-2-yl)ethyl]hydrazine?
The InChIKey is LBYPHILMVODRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4S2/c1-3-10(2)17-5-4-11(16-17)8-12(15-14)13-9-18-6-7-19-13/h4-5,10,12-13,15H,3,6-9,14H2,1-2H3.
What are the key properties of [2-(1-butan-2-ylpyrazol-3-yl)-1-(1,4-dithian-2-yl)ethyl]hydrazine?
[2-(1-butan-2-ylpyrazol-3-yl)-1-(1,4-dithian-2-yl)ethyl]hydrazine has a molecular weight of 300.50 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-butan-2-ylpyrazol-3-yl)-1-(1,4-dithian-2-yl)ethyl]hydrazine is sourced from PubChem (CID 105249347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).