1-ethyl-4-(2-thiophen-3-ylethoxy)pyrazole

C11H14N2OS — CID 116804596

IUPAC1-ethyl-4-(2-thiophen-3-ylethoxy)pyrazole
SMILESCCn1cc(OCCc2ccsc2)cn1
InChIInChI=1S/C11H14N2OS/c1-2-13-8-11(7-12-13)14-5-3-10-4-6-15-9-10/h4,6-9H,2-3,5H2,1H3
InChIKeyGYYZDRHNLHKPTR-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.59
Rot. Bonds5

About 1-ethyl-4-(2-thiophen-3-ylethoxy)pyrazole

1-ethyl-4-(2-thiophen-3-ylethoxy)pyrazole (PubChem CID 116804596) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 1-ethyl-4-(2-thiophen-3-ylethoxy)pyrazole.

Molecular Properties

Compound Name1-ethyl-4-(2-thiophen-3-ylethoxy)pyrazole
PubChem CID116804596
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name1-ethyl-4-(2-thiophen-3-ylethoxy)pyrazole
SMILESCCn1cc(OCCc2ccsc2)cn1
InChIInChI=1S/C11H14N2OS/c1-2-13-8-11(7-12-13)14-5-3-10-4-6-15-9-10/h4,6-9H,2-3,5H2,1H3
InChIKeyGYYZDRHNLHKPTR-UHFFFAOYSA-N
XLogP2.59
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(2-thiophen-3-ylethoxy)pyrazole?
The IUPAC name of 1-ethyl-4-(2-thiophen-3-ylethoxy)pyrazole (CID 116804596) is 1-ethyl-4-(2-thiophen-3-ylethoxy)pyrazole.
What is the SMILES notation for 1-ethyl-4-(2-thiophen-3-ylethoxy)pyrazole?
The canonical SMILES for 1-ethyl-4-(2-thiophen-3-ylethoxy)pyrazole is CCn1cc(OCCc2ccsc2)cn1.
What is the InChIKey of 1-ethyl-4-(2-thiophen-3-ylethoxy)pyrazole?
The InChIKey is GYYZDRHNLHKPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-2-13-8-11(7-12-13)14-5-3-10-4-6-15-9-10/h4,6-9H,2-3,5H2,1H3.
What are the key properties of 1-ethyl-4-(2-thiophen-3-ylethoxy)pyrazole?
1-ethyl-4-(2-thiophen-3-ylethoxy)pyrazole has a molecular weight of 222.31 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(2-thiophen-3-ylethoxy)pyrazole is sourced from PubChem (CID 116804596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).