3-butyl-1-thiophen-2-ylpyrazole

C11H14N2S — CID 91251215

IUPAC3-butyl-1-thiophen-2-ylpyrazole
SMILESCCCCc1ccn(-c2cccs2)n1
InChIInChI=1S/C11H14N2S/c1-2-3-5-10-7-8-13(12-10)11-6-4-9-14-11/h4,6-9H,2-3,5H2,1H3
InChIKeyVWTSRGCPYSQOKG-UHFFFAOYSA-N
MW206.31 g/mol
LogP3.28
Rot. Bonds4

About 3-butyl-1-thiophen-2-ylpyrazole

3-butyl-1-thiophen-2-ylpyrazole (PubChem CID 91251215) has the molecular formula C11H14N2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 3-butyl-1-thiophen-2-ylpyrazole.

Molecular Properties

Compound Name3-butyl-1-thiophen-2-ylpyrazole
PubChem CID91251215
Molecular FormulaC11H14N2S
Molecular Weight206.31 g/mol
Exact Mass206.09
IUPAC Name3-butyl-1-thiophen-2-ylpyrazole
SMILESCCCCc1ccn(-c2cccs2)n1
InChIInChI=1S/C11H14N2S/c1-2-3-5-10-7-8-13(12-10)11-6-4-9-14-11/h4,6-9H,2-3,5H2,1H3
InChIKeyVWTSRGCPYSQOKG-UHFFFAOYSA-N
XLogP3.28
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-1-thiophen-2-ylpyrazole?
The IUPAC name of 3-butyl-1-thiophen-2-ylpyrazole (CID 91251215) is 3-butyl-1-thiophen-2-ylpyrazole.
What is the SMILES notation for 3-butyl-1-thiophen-2-ylpyrazole?
The canonical SMILES for 3-butyl-1-thiophen-2-ylpyrazole is CCCCc1ccn(-c2cccs2)n1.
What is the InChIKey of 3-butyl-1-thiophen-2-ylpyrazole?
The InChIKey is VWTSRGCPYSQOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S/c1-2-3-5-10-7-8-13(12-10)11-6-4-9-14-11/h4,6-9H,2-3,5H2,1H3.
What are the key properties of 3-butyl-1-thiophen-2-ylpyrazole?
3-butyl-1-thiophen-2-ylpyrazole has a molecular weight of 206.31 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1-thiophen-2-ylpyrazole is sourced from PubChem (CID 91251215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).