4-(1H-pyrazol-4-yldisulfanyl)-1H-pyrazole

C6H6N4S2 — CID 4275268

IUPAC4-(1H-pyrazol-4-yldisulfanyl)-1H-pyrazole
SMILESc1n[nH]cc1SSc1cn[nH]c1
InChIInChI=1S/C6H6N4S2/c1-5(2-8-7-1)11-12-6-3-9-10-4-6/h1-4H,(H,7,8)(H,9,10)
InChIKeyRAVFAMPUNNTCES-UHFFFAOYSA-N
MW198.28 g/mol
LogP1.93
Rot. Bonds3

About 4-(1H-pyrazol-4-yldisulfanyl)-1H-pyrazole

4-(1H-pyrazol-4-yldisulfanyl)-1H-pyrazole (PubChem CID 4275268) has the molecular formula C6H6N4S2 and a molecular weight of 198.28 g/mol. Its IUPAC name is 4-(1H-pyrazol-4-yldisulfanyl)-1H-pyrazole.

Molecular Properties

Compound Name4-(1H-pyrazol-4-yldisulfanyl)-1H-pyrazole
PubChem CID4275268
Molecular FormulaC6H6N4S2
Molecular Weight198.28 g/mol
Exact Mass198.00
IUPAC Name4-(1H-pyrazol-4-yldisulfanyl)-1H-pyrazole
SMILESc1n[nH]cc1SSc1cn[nH]c1
InChIInChI=1S/C6H6N4S2/c1-5(2-8-7-1)11-12-6-3-9-10-4-6/h1-4H,(H,7,8)(H,9,10)
InChIKeyRAVFAMPUNNTCES-UHFFFAOYSA-N
XLogP1.93
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.28
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-pyrazol-4-yldisulfanyl)-1H-pyrazole?
The IUPAC name of 4-(1H-pyrazol-4-yldisulfanyl)-1H-pyrazole (CID 4275268) is 4-(1H-pyrazol-4-yldisulfanyl)-1H-pyrazole.
What is the SMILES notation for 4-(1H-pyrazol-4-yldisulfanyl)-1H-pyrazole?
The canonical SMILES for 4-(1H-pyrazol-4-yldisulfanyl)-1H-pyrazole is c1n[nH]cc1SSc1cn[nH]c1.
What is the InChIKey of 4-(1H-pyrazol-4-yldisulfanyl)-1H-pyrazole?
The InChIKey is RAVFAMPUNNTCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4S2/c1-5(2-8-7-1)11-12-6-3-9-10-4-6/h1-4H,(H,7,8)(H,9,10).
What are the key properties of 4-(1H-pyrazol-4-yldisulfanyl)-1H-pyrazole?
4-(1H-pyrazol-4-yldisulfanyl)-1H-pyrazole has a molecular weight of 198.28 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-pyrazol-4-yldisulfanyl)-1H-pyrazole is sourced from PubChem (CID 4275268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).