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

C14H24N4S2 — CID 105249246

IUPAC[2-(1-cyclopentylpyrazol-3-yl)-1-(1,4-dithian-2-yl)ethyl]hydrazine
SMILESNNC(Cc1ccn(C2CCCC2)n1)C1CSCCS1
InChIInChI=1S/C14H24N4S2/c15-16-13(14-10-19-7-8-20-14)9-11-5-6-18(17-11)12-3-1-2-4-12/h5-6,12-14,16H,1-4,7-10,15H2
InChIKeyHYULJYAYMUFFBR-UHFFFAOYSA-N
MW312.51 g/mol
LogP2.22
Rot. Bonds5

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

[2-(1-cyclopentylpyrazol-3-yl)-1-(1,4-dithian-2-yl)ethyl]hydrazine (PubChem CID 105249246) has the molecular formula C14H24N4S2 and a molecular weight of 312.51 g/mol. Its IUPAC name is [2-(1-cyclopentylpyrazol-3-yl)-1-(1,4-dithian-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(1-cyclopentylpyrazol-3-yl)-1-(1,4-dithian-2-yl)ethyl]hydrazine
PubChem CID105249246
Molecular FormulaC14H24N4S2
Molecular Weight312.51 g/mol
Exact Mass312.14
IUPAC Name[2-(1-cyclopentylpyrazol-3-yl)-1-(1,4-dithian-2-yl)ethyl]hydrazine
SMILESNNC(Cc1ccn(C2CCCC2)n1)C1CSCCS1
InChIInChI=1S/C14H24N4S2/c15-16-13(14-10-19-7-8-20-14)9-11-5-6-18(17-11)12-3-1-2-4-12/h5-6,12-14,16H,1-4,7-10,15H2
InChIKeyHYULJYAYMUFFBR-UHFFFAOYSA-N
XLogP2.22
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.51
LogP ≤ 52.22
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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Frequently Asked Questions

What is the IUPAC name of [2-(1-cyclopentylpyrazol-3-yl)-1-(1,4-dithian-2-yl)ethyl]hydrazine?
The IUPAC name of [2-(1-cyclopentylpyrazol-3-yl)-1-(1,4-dithian-2-yl)ethyl]hydrazine (CID 105249246) is [2-(1-cyclopentylpyrazol-3-yl)-1-(1,4-dithian-2-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(1-cyclopentylpyrazol-3-yl)-1-(1,4-dithian-2-yl)ethyl]hydrazine?
The canonical SMILES for [2-(1-cyclopentylpyrazol-3-yl)-1-(1,4-dithian-2-yl)ethyl]hydrazine is NNC(Cc1ccn(C2CCCC2)n1)C1CSCCS1.
What is the InChIKey of [2-(1-cyclopentylpyrazol-3-yl)-1-(1,4-dithian-2-yl)ethyl]hydrazine?
The InChIKey is HYULJYAYMUFFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4S2/c15-16-13(14-10-19-7-8-20-14)9-11-5-6-18(17-11)12-3-1-2-4-12/h5-6,12-14,16H,1-4,7-10,15H2.
What are the key properties of [2-(1-cyclopentylpyrazol-3-yl)-1-(1,4-dithian-2-yl)ethyl]hydrazine?
[2-(1-cyclopentylpyrazol-3-yl)-1-(1,4-dithian-2-yl)ethyl]hydrazine has a molecular weight of 312.51 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-cyclopentylpyrazol-3-yl)-1-(1,4-dithian-2-yl)ethyl]hydrazine is sourced from PubChem (CID 105249246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).