1-methyl-4-thiophen-2-ylpyrazole

C8H8N2S — CID 12619266

IUPAC1-methyl-4-thiophen-2-ylpyrazole
SMILESCn1cc(-c2cccs2)cn1
InChIInChI=1S/C8H8N2S/c1-10-6-7(5-9-10)8-3-2-4-11-8/h2-6H,1H3
InChIKeyCRQYWZWJOOAHIT-UHFFFAOYSA-N
MW164.23 g/mol
LogP2.15
Rot. Bonds1

About 1-methyl-4-thiophen-2-ylpyrazole

1-methyl-4-thiophen-2-ylpyrazole (PubChem CID 12619266) has the molecular formula C8H8N2S and a molecular weight of 164.23 g/mol. Its IUPAC name is 1-methyl-4-thiophen-2-ylpyrazole.

Molecular Properties

Compound Name1-methyl-4-thiophen-2-ylpyrazole
PubChem CID12619266
Molecular FormulaC8H8N2S
Molecular Weight164.23 g/mol
Exact Mass164.04
IUPAC Name1-methyl-4-thiophen-2-ylpyrazole
SMILESCn1cc(-c2cccs2)cn1
InChIInChI=1S/C8H8N2S/c1-10-6-7(5-9-10)8-3-2-4-11-8/h2-6H,1H3
InChIKeyCRQYWZWJOOAHIT-UHFFFAOYSA-N
XLogP2.15
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-thiophen-2-ylpyrazole?
The IUPAC name of 1-methyl-4-thiophen-2-ylpyrazole (CID 12619266) is 1-methyl-4-thiophen-2-ylpyrazole.
What is the SMILES notation for 1-methyl-4-thiophen-2-ylpyrazole?
The canonical SMILES for 1-methyl-4-thiophen-2-ylpyrazole is Cn1cc(-c2cccs2)cn1.
What is the InChIKey of 1-methyl-4-thiophen-2-ylpyrazole?
The InChIKey is CRQYWZWJOOAHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2S/c1-10-6-7(5-9-10)8-3-2-4-11-8/h2-6H,1H3.
What are the key properties of 1-methyl-4-thiophen-2-ylpyrazole?
1-methyl-4-thiophen-2-ylpyrazole has a molecular weight of 164.23 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-thiophen-2-ylpyrazole is sourced from PubChem (CID 12619266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).