[2-(1,3-diethylpyrazol-5-yl)-1-(1,4-dithian-2-yl)ethyl]hydrazine

C13H24N4S2 — CID 105249387

IUPAC[2-(1,3-diethylpyrazol-5-yl)-1-(1,4-dithian-2-yl)ethyl]hydrazine
SMILESCCc1cc(CC(NN)C2CSCCS2)n(CC)n1
InChIInChI=1S/C13H24N4S2/c1-3-10-7-11(17(4-2)16-10)8-12(15-14)13-9-18-5-6-19-13/h7,12-13,15H,3-6,8-9,14H2,1-2H3
InChIKeyFDOFEQRXEJPAKH-UHFFFAOYSA-N
MW300.50 g/mol
LogP1.69
Rot. Bonds6

About [2-(1,3-diethylpyrazol-5-yl)-1-(1,4-dithian-2-yl)ethyl]hydrazine

[2-(1,3-diethylpyrazol-5-yl)-1-(1,4-dithian-2-yl)ethyl]hydrazine (PubChem CID 105249387) has the molecular formula C13H24N4S2 and a molecular weight of 300.50 g/mol. Its IUPAC name is [2-(1,3-diethylpyrazol-5-yl)-1-(1,4-dithian-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(1,3-diethylpyrazol-5-yl)-1-(1,4-dithian-2-yl)ethyl]hydrazine
PubChem CID105249387
Molecular FormulaC13H24N4S2
Molecular Weight300.50 g/mol
Exact Mass300.14
IUPAC Name[2-(1,3-diethylpyrazol-5-yl)-1-(1,4-dithian-2-yl)ethyl]hydrazine
SMILESCCc1cc(CC(NN)C2CSCCS2)n(CC)n1
InChIInChI=1S/C13H24N4S2/c1-3-10-7-11(17(4-2)16-10)8-12(15-14)13-9-18-5-6-19-13/h7,12-13,15H,3-6,8-9,14H2,1-2H3
InChIKeyFDOFEQRXEJPAKH-UHFFFAOYSA-N
XLogP1.69
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 ≤ 51.69
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-(1,3-diethylpyrazol-5-yl)-1-(1,4-dithian-2-yl)-N-methylethanamine
CID 79965670
[2-(1,3-diethylpyrazol-5-yl)-1-(3-ethyl-1,4-dithian-2-yl)ethyl]hydrazine
CID 105259988
1-(1,4-dithian-2-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)-N-methylethanamine
CID 79965484
[2-(2-ethyl-5-methylpyrazol-3-yl)-1-(thiolan-2-yl)ethyl]hydrazine
CID 105255301
[2-(1,3-diethylpyrazol-5-yl)-1-(4-ethylcyclohexyl)ethyl]hydrazine
CID 105231524
1-(1,4-dithian-2-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine
CID 79973099
[2-(1-butan-2-ylpyrazol-3-yl)-1-(1,4-dithian-2-yl)ethyl]hydrazine
CID 105249347
[2-(1,3-diethylpyrazol-5-yl)-1-(3-methylcyclohexyl)ethyl]hydrazine
CID 105210397
[2-(1,3-diethylpyrazol-5-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethyl]hydrazine
CID 105318400
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(1,3-diethylpyrazol-5-yl)ethyl]hydrazine
CID 105224823
[2-(1,3-diethylpyrazol-5-yl)-1-(4-ethylmorpholin-2-yl)ethyl]hydrazine
CID 105247675
[1-(1,4-dithian-2-yl)-2-(4-methylphenyl)ethyl]hydrazine
CID 105249365

Frequently Asked Questions

What is the IUPAC name of [2-(1,3-diethylpyrazol-5-yl)-1-(1,4-dithian-2-yl)ethyl]hydrazine?
The IUPAC name of [2-(1,3-diethylpyrazol-5-yl)-1-(1,4-dithian-2-yl)ethyl]hydrazine (CID 105249387) is [2-(1,3-diethylpyrazol-5-yl)-1-(1,4-dithian-2-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(1,3-diethylpyrazol-5-yl)-1-(1,4-dithian-2-yl)ethyl]hydrazine?
The canonical SMILES for [2-(1,3-diethylpyrazol-5-yl)-1-(1,4-dithian-2-yl)ethyl]hydrazine is CCc1cc(CC(NN)C2CSCCS2)n(CC)n1.
What is the InChIKey of [2-(1,3-diethylpyrazol-5-yl)-1-(1,4-dithian-2-yl)ethyl]hydrazine?
The InChIKey is FDOFEQRXEJPAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4S2/c1-3-10-7-11(17(4-2)16-10)8-12(15-14)13-9-18-5-6-19-13/h7,12-13,15H,3-6,8-9,14H2,1-2H3.
What are the key properties of [2-(1,3-diethylpyrazol-5-yl)-1-(1,4-dithian-2-yl)ethyl]hydrazine?
[2-(1,3-diethylpyrazol-5-yl)-1-(1,4-dithian-2-yl)ethyl]hydrazine has a molecular weight of 300.50 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-diethylpyrazol-5-yl)-1-(1,4-dithian-2-yl)ethyl]hydrazine is sourced from PubChem (CID 105249387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).