pyrazol-1-yl(thiophen-2-yl)diazene

C7H6N4S — CID 70466922

IUPACpyrazol-1-yl(thiophen-2-yl)diazene
SMILESc1csc(N=Nn2cccn2)c1
InChIInChI=1S/C7H6N4S/c1-3-7(12-6-1)9-10-11-5-2-4-8-11/h1-6H
InChIKeyXTNFEUGJGZHVHO-UHFFFAOYSA-N
MW178.22 g/mol
LogP2.49
Rot. Bonds2

About pyrazol-1-yl(thiophen-2-yl)diazene

pyrazol-1-yl(thiophen-2-yl)diazene (PubChem CID 70466922) has the molecular formula C7H6N4S and a molecular weight of 178.22 g/mol. Its IUPAC name is pyrazol-1-yl(thiophen-2-yl)diazene.

Molecular Properties

Compound Namepyrazol-1-yl(thiophen-2-yl)diazene
PubChem CID70466922
Molecular FormulaC7H6N4S
Molecular Weight178.22 g/mol
Exact Mass178.03
IUPAC Namepyrazol-1-yl(thiophen-2-yl)diazene
SMILESc1csc(N=Nn2cccn2)c1
InChIInChI=1S/C7H6N4S/c1-3-7(12-6-1)9-10-11-5-2-4-8-11/h1-6H
InChIKeyXTNFEUGJGZHVHO-UHFFFAOYSA-N
XLogP2.49
TPSA42.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.22
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of pyrazol-1-yl(thiophen-2-yl)diazene?
The IUPAC name of pyrazol-1-yl(thiophen-2-yl)diazene (CID 70466922) is pyrazol-1-yl(thiophen-2-yl)diazene.
What is the SMILES notation for pyrazol-1-yl(thiophen-2-yl)diazene?
The canonical SMILES for pyrazol-1-yl(thiophen-2-yl)diazene is c1csc(N=Nn2cccn2)c1.
What is the InChIKey of pyrazol-1-yl(thiophen-2-yl)diazene?
The InChIKey is XTNFEUGJGZHVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4S/c1-3-7(12-6-1)9-10-11-5-2-4-8-11/h1-6H.
What are the key properties of pyrazol-1-yl(thiophen-2-yl)diazene?
pyrazol-1-yl(thiophen-2-yl)diazene has a molecular weight of 178.22 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazol-1-yl(thiophen-2-yl)diazene is sourced from PubChem (CID 70466922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).