2-[1-(3-fluoro-5-pyridin-4-ylsulfanylphenyl)pyrazol-3-yl]pyridine

C19H13FN4S — CID 10215442

IUPAC2-[1-(3-fluoro-5-pyridin-4-ylsulfanylphenyl)pyrazol-3-yl]pyridine
SMILESFc1cc(Sc2ccncc2)cc(-n2ccc(-c3ccccn3)n2)c1
InChIInChI=1S/C19H13FN4S/c20-14-11-15(13-17(12-14)25-16-4-8-21-9-5-16)24-10-6-19(23-24)18-3-1-2-7-22-18/h1-13H
InChIKeyJSBZCPNPVVRGEV-UHFFFAOYSA-N
MW348.41 g/mol
LogP4.62
Rot. Bonds4

About 2-[1-(3-fluoro-5-pyridin-4-ylsulfanylphenyl)pyrazol-3-yl]pyridine

2-[1-(3-fluoro-5-pyridin-4-ylsulfanylphenyl)pyrazol-3-yl]pyridine (PubChem CID 10215442) has the molecular formula C19H13FN4S and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-[1-(3-fluoro-5-pyridin-4-ylsulfanylphenyl)pyrazol-3-yl]pyridine.

Molecular Properties

Compound Name2-[1-(3-fluoro-5-pyridin-4-ylsulfanylphenyl)pyrazol-3-yl]pyridine
PubChem CID10215442
Molecular FormulaC19H13FN4S
Molecular Weight348.41 g/mol
Exact Mass348.08
IUPAC Name2-[1-(3-fluoro-5-pyridin-4-ylsulfanylphenyl)pyrazol-3-yl]pyridine
SMILESFc1cc(Sc2ccncc2)cc(-n2ccc(-c3ccccn3)n2)c1
InChIInChI=1S/C19H13FN4S/c20-14-11-15(13-17(12-14)25-16-4-8-21-9-5-16)24-10-6-19(23-24)18-3-1-2-7-22-18/h1-13H
InChIKeyJSBZCPNPVVRGEV-UHFFFAOYSA-N
XLogP4.62
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-fluoro-5-pyridin-4-ylsulfanylphenyl)pyrazol-3-yl]pyridine?
The IUPAC name of 2-[1-(3-fluoro-5-pyridin-4-ylsulfanylphenyl)pyrazol-3-yl]pyridine (CID 10215442) is 2-[1-(3-fluoro-5-pyridin-4-ylsulfanylphenyl)pyrazol-3-yl]pyridine.
What is the SMILES notation for 2-[1-(3-fluoro-5-pyridin-4-ylsulfanylphenyl)pyrazol-3-yl]pyridine?
The canonical SMILES for 2-[1-(3-fluoro-5-pyridin-4-ylsulfanylphenyl)pyrazol-3-yl]pyridine is Fc1cc(Sc2ccncc2)cc(-n2ccc(-c3ccccn3)n2)c1.
What is the InChIKey of 2-[1-(3-fluoro-5-pyridin-4-ylsulfanylphenyl)pyrazol-3-yl]pyridine?
The InChIKey is JSBZCPNPVVRGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN4S/c20-14-11-15(13-17(12-14)25-16-4-8-21-9-5-16)24-10-6-19(23-24)18-3-1-2-7-22-18/h1-13H.
What are the key properties of 2-[1-(3-fluoro-5-pyridin-4-ylsulfanylphenyl)pyrazol-3-yl]pyridine?
2-[1-(3-fluoro-5-pyridin-4-ylsulfanylphenyl)pyrazol-3-yl]pyridine has a molecular weight of 348.41 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-fluoro-5-pyridin-4-ylsulfanylphenyl)pyrazol-3-yl]pyridine is sourced from PubChem (CID 10215442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).