1-(5-ethylthiophen-2-yl)pyrazole

C9H10N2S — CID 134386657

IUPAC1-(5-ethylthiophen-2-yl)pyrazole
SMILESCCc1ccc(-n2cccn2)s1
InChIInChI=1S/C9H10N2S/c1-2-8-4-5-9(12-8)11-7-3-6-10-11/h3-7H,2H2,1H3
InChIKeyRZQXSESYLQLOAY-UHFFFAOYSA-N
MW178.26 g/mol
LogP2.50
Rot. Bonds2

About 1-(5-ethylthiophen-2-yl)pyrazole

1-(5-ethylthiophen-2-yl)pyrazole (PubChem CID 134386657) has the molecular formula C9H10N2S and a molecular weight of 178.26 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)pyrazole.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)pyrazole
PubChem CID134386657
Molecular FormulaC9H10N2S
Molecular Weight178.26 g/mol
Exact Mass178.06
IUPAC Name1-(5-ethylthiophen-2-yl)pyrazole
SMILESCCc1ccc(-n2cccn2)s1
InChIInChI=1S/C9H10N2S/c1-2-8-4-5-9(12-8)11-7-3-6-10-11/h3-7H,2H2,1H3
InChIKeyRZQXSESYLQLOAY-UHFFFAOYSA-N
XLogP2.50
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)pyrazole?
The IUPAC name of 1-(5-ethylthiophen-2-yl)pyrazole (CID 134386657) is 1-(5-ethylthiophen-2-yl)pyrazole.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)pyrazole?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)pyrazole is CCc1ccc(-n2cccn2)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)pyrazole?
The InChIKey is RZQXSESYLQLOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2S/c1-2-8-4-5-9(12-8)11-7-3-6-10-11/h3-7H,2H2,1H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)pyrazole?
1-(5-ethylthiophen-2-yl)pyrazole has a molecular weight of 178.26 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-2-yl)pyrazole is sourced from PubChem (CID 134386657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).