1-ethyl-3-methylthieno[3,2-d]pyrazole

C8H10N2S — CID 91490110

IUPAC1-ethyl-3-methylthieno[3,2-d]pyrazole
SMILESCCn1nc(C)c2ccsc21
InChIInChI=1S/C8H10N2S/c1-3-10-8-7(4-5-11-8)6(2)9-10/h4-5H,3H2,1-2H3
InChIKeySPLOUCVTHSGFGY-UHFFFAOYSA-N
MW166.25 g/mol
LogP2.43
Rot. Bonds1

About 1-ethyl-3-methylthieno[3,2-d]pyrazole

1-ethyl-3-methylthieno[3,2-d]pyrazole (PubChem CID 91490110) has the molecular formula C8H10N2S and a molecular weight of 166.25 g/mol. Its IUPAC name is 1-ethyl-3-methylthieno[3,2-d]pyrazole.

Molecular Properties

Compound Name1-ethyl-3-methylthieno[3,2-d]pyrazole
PubChem CID91490110
Molecular FormulaC8H10N2S
Molecular Weight166.25 g/mol
Exact Mass166.06
IUPAC Name1-ethyl-3-methylthieno[3,2-d]pyrazole
SMILESCCn1nc(C)c2ccsc21
InChIInChI=1S/C8H10N2S/c1-3-10-8-7(4-5-11-8)6(2)9-10/h4-5H,3H2,1-2H3
InChIKeySPLOUCVTHSGFGY-UHFFFAOYSA-N
XLogP2.43
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.25
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methylthieno[3,2-d]pyrazole?
The IUPAC name of 1-ethyl-3-methylthieno[3,2-d]pyrazole (CID 91490110) is 1-ethyl-3-methylthieno[3,2-d]pyrazole.
What is the SMILES notation for 1-ethyl-3-methylthieno[3,2-d]pyrazole?
The canonical SMILES for 1-ethyl-3-methylthieno[3,2-d]pyrazole is CCn1nc(C)c2ccsc21.
What is the InChIKey of 1-ethyl-3-methylthieno[3,2-d]pyrazole?
The InChIKey is SPLOUCVTHSGFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2S/c1-3-10-8-7(4-5-11-8)6(2)9-10/h4-5H,3H2,1-2H3.
What are the key properties of 1-ethyl-3-methylthieno[3,2-d]pyrazole?
1-ethyl-3-methylthieno[3,2-d]pyrazole has a molecular weight of 166.25 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methylthieno[3,2-d]pyrazole is sourced from PubChem (CID 91490110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).