1-(thiophen-3-ylmethyl)pyrazole

C8H8N2S — CID 63812394

IUPAC1-(thiophen-3-ylmethyl)pyrazole
SMILESc1cnn(Cc2ccsc2)c1
InChIInChI=1S/C8H8N2S/c1-3-9-10(4-1)6-8-2-5-11-7-8/h1-5,7H,6H2
InChIKeyKTRMTWSFYGWAKG-UHFFFAOYSA-N
MW164.23 g/mol
LogP1.99
Rot. Bonds2

About 1-(thiophen-3-ylmethyl)pyrazole

1-(thiophen-3-ylmethyl)pyrazole (PubChem CID 63812394) has the molecular formula C8H8N2S and a molecular weight of 164.23 g/mol. Its IUPAC name is 1-(thiophen-3-ylmethyl)pyrazole.

Molecular Properties

Compound Name1-(thiophen-3-ylmethyl)pyrazole
PubChem CID63812394
Molecular FormulaC8H8N2S
Molecular Weight164.23 g/mol
Exact Mass164.04
IUPAC Name1-(thiophen-3-ylmethyl)pyrazole
SMILESc1cnn(Cc2ccsc2)c1
InChIInChI=1S/C8H8N2S/c1-3-9-10(4-1)6-8-2-5-11-7-8/h1-5,7H,6H2
InChIKeyKTRMTWSFYGWAKG-UHFFFAOYSA-N
XLogP1.99
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(thiophen-3-ylmethyl)pyrazole?
The IUPAC name of 1-(thiophen-3-ylmethyl)pyrazole (CID 63812394) is 1-(thiophen-3-ylmethyl)pyrazole.
What is the SMILES notation for 1-(thiophen-3-ylmethyl)pyrazole?
The canonical SMILES for 1-(thiophen-3-ylmethyl)pyrazole is c1cnn(Cc2ccsc2)c1.
What is the InChIKey of 1-(thiophen-3-ylmethyl)pyrazole?
The InChIKey is KTRMTWSFYGWAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2S/c1-3-9-10(4-1)6-8-2-5-11-7-8/h1-5,7H,6H2.
What are the key properties of 1-(thiophen-3-ylmethyl)pyrazole?
1-(thiophen-3-ylmethyl)pyrazole has a molecular weight of 164.23 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiophen-3-ylmethyl)pyrazole is sourced from PubChem (CID 63812394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).