4,6-diethyl-3H-thieno[3,4-c]pyrazole

C9H12N2S — CID 130318337

IUPAC4,6-diethyl-3H-thieno[3,4-c]pyrazole
SMILESCCc1sc(CC)c2c1CN=N2
InChIInChI=1S/C9H12N2S/c1-3-7-6-5-10-11-9(6)8(4-2)12-7/h3-5H2,1-2H3
InChIKeyBJQGXOIVIJDOPY-UHFFFAOYSA-N
MW180.28 g/mol
LogP3.47
Rot. Bonds2

About 4,6-diethyl-3H-thieno[3,4-c]pyrazole

4,6-diethyl-3H-thieno[3,4-c]pyrazole (PubChem CID 130318337) has the molecular formula C9H12N2S and a molecular weight of 180.28 g/mol. Its IUPAC name is 4,6-diethyl-3H-thieno[3,4-c]pyrazole.

Molecular Properties

Compound Name4,6-diethyl-3H-thieno[3,4-c]pyrazole
PubChem CID130318337
Molecular FormulaC9H12N2S
Molecular Weight180.28 g/mol
Exact Mass180.07
IUPAC Name4,6-diethyl-3H-thieno[3,4-c]pyrazole
SMILESCCc1sc(CC)c2c1CN=N2
InChIInChI=1S/C9H12N2S/c1-3-7-6-5-10-11-9(6)8(4-2)12-7/h3-5H2,1-2H3
InChIKeyBJQGXOIVIJDOPY-UHFFFAOYSA-N
XLogP3.47
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.28
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-diethyl-3H-thieno[3,4-c]pyrazole?
The IUPAC name of 4,6-diethyl-3H-thieno[3,4-c]pyrazole (CID 130318337) is 4,6-diethyl-3H-thieno[3,4-c]pyrazole.
What is the SMILES notation for 4,6-diethyl-3H-thieno[3,4-c]pyrazole?
The canonical SMILES for 4,6-diethyl-3H-thieno[3,4-c]pyrazole is CCc1sc(CC)c2c1CN=N2.
What is the InChIKey of 4,6-diethyl-3H-thieno[3,4-c]pyrazole?
The InChIKey is BJQGXOIVIJDOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2S/c1-3-7-6-5-10-11-9(6)8(4-2)12-7/h3-5H2,1-2H3.
What are the key properties of 4,6-diethyl-3H-thieno[3,4-c]pyrazole?
4,6-diethyl-3H-thieno[3,4-c]pyrazole has a molecular weight of 180.28 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diethyl-3H-thieno[3,4-c]pyrazole is sourced from PubChem (CID 130318337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).