1-(2-fluoroethyl)-4-methylsulfanylpyrazole

C6H9FN2S — CID 123656981

IUPAC1-(2-fluoroethyl)-4-methylsulfanylpyrazole
SMILESCSc1cnn(CCF)c1
InChIInChI=1S/C6H9FN2S/c1-10-6-4-8-9(5-6)3-2-7/h4-5H,2-3H2,1H3
InChIKeyHBRLQPHQYWJJGD-UHFFFAOYSA-N
MW160.22 g/mol
LogP1.57
Rot. Bonds3

About 1-(2-fluoroethyl)-4-methylsulfanylpyrazole

1-(2-fluoroethyl)-4-methylsulfanylpyrazole (PubChem CID 123656981) has the molecular formula C6H9FN2S and a molecular weight of 160.22 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-4-methylsulfanylpyrazole.

Molecular Properties

Compound Name1-(2-fluoroethyl)-4-methylsulfanylpyrazole
PubChem CID123656981
Molecular FormulaC6H9FN2S
Molecular Weight160.22 g/mol
Exact Mass160.05
IUPAC Name1-(2-fluoroethyl)-4-methylsulfanylpyrazole
SMILESCSc1cnn(CCF)c1
InChIInChI=1S/C6H9FN2S/c1-10-6-4-8-9(5-6)3-2-7/h4-5H,2-3H2,1H3
InChIKeyHBRLQPHQYWJJGD-UHFFFAOYSA-N
XLogP1.57
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-4-methylsulfanylpyrazole?
The IUPAC name of 1-(2-fluoroethyl)-4-methylsulfanylpyrazole (CID 123656981) is 1-(2-fluoroethyl)-4-methylsulfanylpyrazole.
What is the SMILES notation for 1-(2-fluoroethyl)-4-methylsulfanylpyrazole?
The canonical SMILES for 1-(2-fluoroethyl)-4-methylsulfanylpyrazole is CSc1cnn(CCF)c1.
What is the InChIKey of 1-(2-fluoroethyl)-4-methylsulfanylpyrazole?
The InChIKey is HBRLQPHQYWJJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN2S/c1-10-6-4-8-9(5-6)3-2-7/h4-5H,2-3H2,1H3.
What are the key properties of 1-(2-fluoroethyl)-4-methylsulfanylpyrazole?
1-(2-fluoroethyl)-4-methylsulfanylpyrazole has a molecular weight of 160.22 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-4-methylsulfanylpyrazole is sourced from PubChem (CID 123656981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).