1-(4-fluoro-2-methylsulfanylphenyl)pyrazole

C10H9FN2S — CID 57220782

IUPAC1-(4-fluoro-2-methylsulfanylphenyl)pyrazole
SMILESCSc1cc(F)ccc1-n1cccn1
InChIInChI=1S/C10H9FN2S/c1-14-10-7-8(11)3-4-9(10)13-6-2-5-12-13/h2-7H,1H3
InChIKeyROTWWNHWDIFQLG-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.73
Rot. Bonds2

About 1-(4-fluoro-2-methylsulfanylphenyl)pyrazole

1-(4-fluoro-2-methylsulfanylphenyl)pyrazole (PubChem CID 57220782) has the molecular formula C10H9FN2S and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylsulfanylphenyl)pyrazole.

Molecular Properties

Compound Name1-(4-fluoro-2-methylsulfanylphenyl)pyrazole
PubChem CID57220782
Molecular FormulaC10H9FN2S
Molecular Weight208.26 g/mol
Exact Mass208.05
IUPAC Name1-(4-fluoro-2-methylsulfanylphenyl)pyrazole
SMILESCSc1cc(F)ccc1-n1cccn1
InChIInChI=1S/C10H9FN2S/c1-14-10-7-8(11)3-4-9(10)13-6-2-5-12-13/h2-7H,1H3
InChIKeyROTWWNHWDIFQLG-UHFFFAOYSA-N
XLogP2.73
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylsulfanylphenyl)pyrazole?
The IUPAC name of 1-(4-fluoro-2-methylsulfanylphenyl)pyrazole (CID 57220782) is 1-(4-fluoro-2-methylsulfanylphenyl)pyrazole.
What is the SMILES notation for 1-(4-fluoro-2-methylsulfanylphenyl)pyrazole?
The canonical SMILES for 1-(4-fluoro-2-methylsulfanylphenyl)pyrazole is CSc1cc(F)ccc1-n1cccn1.
What is the InChIKey of 1-(4-fluoro-2-methylsulfanylphenyl)pyrazole?
The InChIKey is ROTWWNHWDIFQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2S/c1-14-10-7-8(11)3-4-9(10)13-6-2-5-12-13/h2-7H,1H3.
What are the key properties of 1-(4-fluoro-2-methylsulfanylphenyl)pyrazole?
1-(4-fluoro-2-methylsulfanylphenyl)pyrazole has a molecular weight of 208.26 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylsulfanylphenyl)pyrazole is sourced from PubChem (CID 57220782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).