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

C15H28N4S2 — CID 105259953

IUPAC[2-(1-butan-2-ylpyrazol-3-yl)-1-(3-ethyl-1,4-dithian-2-yl)ethyl]hydrazine
SMILESCCC1SCCSC1C(Cc1ccn(C(C)CC)n1)NN
InChIInChI=1S/C15H28N4S2/c1-4-11(3)19-7-6-12(18-19)10-13(17-16)15-14(5-2)20-8-9-21-15/h6-7,11,13-15,17H,4-5,8-10,16H2,1-3H3
InChIKeyDJVKWOGHQCAHGJ-UHFFFAOYSA-N
MW328.55 g/mol
LogP2.86
Rot. Bonds7

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

[2-(1-butan-2-ylpyrazol-3-yl)-1-(3-ethyl-1,4-dithian-2-yl)ethyl]hydrazine (PubChem CID 105259953) has the molecular formula C15H28N4S2 and a molecular weight of 328.55 g/mol. Its IUPAC name is [2-(1-butan-2-ylpyrazol-3-yl)-1-(3-ethyl-1,4-dithian-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(1-butan-2-ylpyrazol-3-yl)-1-(3-ethyl-1,4-dithian-2-yl)ethyl]hydrazine
PubChem CID105259953
Molecular FormulaC15H28N4S2
Molecular Weight328.55 g/mol
Exact Mass328.18
IUPAC Name[2-(1-butan-2-ylpyrazol-3-yl)-1-(3-ethyl-1,4-dithian-2-yl)ethyl]hydrazine
SMILESCCC1SCCSC1C(Cc1ccn(C(C)CC)n1)NN
InChIInChI=1S/C15H28N4S2/c1-4-11(3)19-7-6-12(18-19)10-13(17-16)15-14(5-2)20-8-9-21-15/h6-7,11,13-15,17H,4-5,8-10,16H2,1-3H3
InChIKeyDJVKWOGHQCAHGJ-UHFFFAOYSA-N
XLogP2.86
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.55
LogP ≤ 52.86
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-(1,4-dithian-2-yl)ethyl]hydrazine
CID 105249347
[2-(1-butan-2-ylpyrazol-3-yl)-1-cyclooctylethyl]hydrazine
CID 105255154
2-(1-butan-2-ylpyrazol-3-yl)-1-(3-methyl-1,4-dithian-2-yl)ethanol
CID 115386246
[1-(3-ethyl-1,4-dithian-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105259979
[2-(1-butan-2-ylpyrazol-3-yl)-1-(oxolan-3-yl)ethyl]hydrazine
CID 105229429
[2-(1,3-diethylpyrazol-5-yl)-1-(3-ethyl-1,4-dithian-2-yl)ethyl]hydrazine
CID 105259988
[1-(1-butan-2-ylpyrazol-3-yl)-3-cyclopropylbutan-2-yl]hydrazine
CID 105312549
[1-(3-ethyl-1,4-dithian-2-yl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine
CID 105259997
[2-(5-chloro-2-fluorophenyl)-1-(3-ethyl-1,4-dithian-2-yl)ethyl]hydrazine
CID 103053681
2-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-1-(1,4-oxathian-2-yl)ethanamine
CID 79962351
1-(3-ethyl-1,4-dithian-2-yl)-2-(1-methylpyrazol-3-yl)ethanol
CID 82877907
[1-(1-butan-2-ylpyrazol-3-yl)-4-cyclohexylbutan-2-yl]hydrazine
CID 105312574

Frequently Asked Questions

What is the IUPAC name of [2-(1-butan-2-ylpyrazol-3-yl)-1-(3-ethyl-1,4-dithian-2-yl)ethyl]hydrazine?
The IUPAC name of [2-(1-butan-2-ylpyrazol-3-yl)-1-(3-ethyl-1,4-dithian-2-yl)ethyl]hydrazine (CID 105259953) is [2-(1-butan-2-ylpyrazol-3-yl)-1-(3-ethyl-1,4-dithian-2-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(1-butan-2-ylpyrazol-3-yl)-1-(3-ethyl-1,4-dithian-2-yl)ethyl]hydrazine?
The canonical SMILES for [2-(1-butan-2-ylpyrazol-3-yl)-1-(3-ethyl-1,4-dithian-2-yl)ethyl]hydrazine is CCC1SCCSC1C(Cc1ccn(C(C)CC)n1)NN.
What is the InChIKey of [2-(1-butan-2-ylpyrazol-3-yl)-1-(3-ethyl-1,4-dithian-2-yl)ethyl]hydrazine?
The InChIKey is DJVKWOGHQCAHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4S2/c1-4-11(3)19-7-6-12(18-19)10-13(17-16)15-14(5-2)20-8-9-21-15/h6-7,11,13-15,17H,4-5,8-10,16H2,1-3H3.
What are the key properties of [2-(1-butan-2-ylpyrazol-3-yl)-1-(3-ethyl-1,4-dithian-2-yl)ethyl]hydrazine?
[2-(1-butan-2-ylpyrazol-3-yl)-1-(3-ethyl-1,4-dithian-2-yl)ethyl]hydrazine has a molecular weight of 328.55 g/mol, XLogP of 2.86, 7 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-(3-ethyl-1,4-dithian-2-yl)ethyl]hydrazine is sourced from PubChem (CID 105259953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).