1-(1H-imidazol-5-ylsulfanyl)pyrazole

C6H6N4S — CID 66668640

IUPAC1-(1H-imidazol-5-ylsulfanyl)pyrazole
SMILESc1cnn(Sc2cnc[nH]2)c1
InChIInChI=1S/C6H6N4S/c1-2-9-10(3-1)11-6-4-7-5-8-6/h1-5H,(H,7,8)
InChIKeyHCCKZFGONXNXQV-UHFFFAOYSA-N
MW166.21 g/mol
LogP1.16
Rot. Bonds2

About 1-(1H-imidazol-5-ylsulfanyl)pyrazole

1-(1H-imidazol-5-ylsulfanyl)pyrazole (PubChem CID 66668640) has the molecular formula C6H6N4S and a molecular weight of 166.21 g/mol. Its IUPAC name is 1-(1H-imidazol-5-ylsulfanyl)pyrazole.

Molecular Properties

Compound Name1-(1H-imidazol-5-ylsulfanyl)pyrazole
PubChem CID66668640
Molecular FormulaC6H6N4S
Molecular Weight166.21 g/mol
Exact Mass166.03
IUPAC Name1-(1H-imidazol-5-ylsulfanyl)pyrazole
SMILESc1cnn(Sc2cnc[nH]2)c1
InChIInChI=1S/C6H6N4S/c1-2-9-10(3-1)11-6-4-7-5-8-6/h1-5H,(H,7,8)
InChIKeyHCCKZFGONXNXQV-UHFFFAOYSA-N
XLogP1.16
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.21
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1H-imidazol-5-ylsulfanyl)pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-5-ylsulfanyl)pyrazole?
The IUPAC name of 1-(1H-imidazol-5-ylsulfanyl)pyrazole (CID 66668640) is 1-(1H-imidazol-5-ylsulfanyl)pyrazole.
What is the SMILES notation for 1-(1H-imidazol-5-ylsulfanyl)pyrazole?
The canonical SMILES for 1-(1H-imidazol-5-ylsulfanyl)pyrazole is c1cnn(Sc2cnc[nH]2)c1.
What is the InChIKey of 1-(1H-imidazol-5-ylsulfanyl)pyrazole?
The InChIKey is HCCKZFGONXNXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4S/c1-2-9-10(3-1)11-6-4-7-5-8-6/h1-5H,(H,7,8).
What are the key properties of 1-(1H-imidazol-5-ylsulfanyl)pyrazole?
1-(1H-imidazol-5-ylsulfanyl)pyrazole has a molecular weight of 166.21 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-5-ylsulfanyl)pyrazole is sourced from PubChem (CID 66668640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).