3,3,4,6-tetramethylthieno[3,4-c]pyrazole

C9H12N2S — CID 102433737

IUPAC3,3,4,6-tetramethylthieno[3,4-c]pyrazole
SMILESCc1sc(C)c2c1N=NC2(C)C
InChIInChI=1S/C9H12N2S/c1-5-7-8(6(2)12-5)10-11-9(7,3)4/h1-4H3
InChIKeyIRXRJMUPZXSUDD-UHFFFAOYSA-N
MW180.28 g/mol
LogP3.70
Rot. Bonds

About 3,3,4,6-tetramethylthieno[3,4-c]pyrazole

3,3,4,6-tetramethylthieno[3,4-c]pyrazole (PubChem CID 102433737) has the molecular formula C9H12N2S and a molecular weight of 180.28 g/mol. Its IUPAC name is 3,3,4,6-tetramethylthieno[3,4-c]pyrazole.

Molecular Properties

Compound Name3,3,4,6-tetramethylthieno[3,4-c]pyrazole
PubChem CID102433737
Molecular FormulaC9H12N2S
Molecular Weight180.28 g/mol
Exact Mass180.07
IUPAC Name3,3,4,6-tetramethylthieno[3,4-c]pyrazole
SMILESCc1sc(C)c2c1N=NC2(C)C
InChIInChI=1S/C9H12N2S/c1-5-7-8(6(2)12-5)10-11-9(7,3)4/h1-4H3
InChIKeyIRXRJMUPZXSUDD-UHFFFAOYSA-N
XLogP3.70
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.28
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,4,6-tetramethylthieno[3,4-c]pyrazole?
The IUPAC name of 3,3,4,6-tetramethylthieno[3,4-c]pyrazole (CID 102433737) is 3,3,4,6-tetramethylthieno[3,4-c]pyrazole.
What is the SMILES notation for 3,3,4,6-tetramethylthieno[3,4-c]pyrazole?
The canonical SMILES for 3,3,4,6-tetramethylthieno[3,4-c]pyrazole is Cc1sc(C)c2c1N=NC2(C)C.
What is the InChIKey of 3,3,4,6-tetramethylthieno[3,4-c]pyrazole?
The InChIKey is IRXRJMUPZXSUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2S/c1-5-7-8(6(2)12-5)10-11-9(7,3)4/h1-4H3.
What are the key properties of 3,3,4,6-tetramethylthieno[3,4-c]pyrazole?
3,3,4,6-tetramethylthieno[3,4-c]pyrazole has a molecular weight of 180.28 g/mol, XLogP of 3.70, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,6-tetramethylthieno[3,4-c]pyrazole is sourced from PubChem (CID 102433737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).