3-fluoro-4-[5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-1-yl]pyridine

C19H14FN3O2S2 — CID 141164262

IUPAC3-fluoro-4-[5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-1-yl]pyridine
SMILESCS(=O)(=O)c1cccc(-c2ccc(-c3ccnn3-c3ccncc3F)s2)c1
InChIInChI=1S/C19H14FN3O2S2/c1-27(24,25)14-4-2-3-13(11-14)18-5-6-19(26-18)17-8-10-22-23(17)16-7-9-21-12-15(16)20/h2-12H,1H3
InChIKeyWIGMGTPDKLXOHP-UHFFFAOYSA-N
MW399.47 g/mol
LogP4.21
Rot. Bonds4

About 3-fluoro-4-[5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-1-yl]pyridine

3-fluoro-4-[5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-1-yl]pyridine (PubChem CID 141164262) has the molecular formula C19H14FN3O2S2 and a molecular weight of 399.47 g/mol. Its IUPAC name is 3-fluoro-4-[5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-1-yl]pyridine.

Molecular Properties

Compound Name3-fluoro-4-[5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-1-yl]pyridine
PubChem CID141164262
Molecular FormulaC19H14FN3O2S2
Molecular Weight399.47 g/mol
Exact Mass399.05
IUPAC Name3-fluoro-4-[5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-1-yl]pyridine
SMILESCS(=O)(=O)c1cccc(-c2ccc(-c3ccnn3-c3ccncc3F)s2)c1
InChIInChI=1S/C19H14FN3O2S2/c1-27(24,25)14-4-2-3-13(11-14)18-5-6-19(26-18)17-8-10-22-23(17)16-7-9-21-12-15(16)20/h2-12H,1H3
InChIKeyWIGMGTPDKLXOHP-UHFFFAOYSA-N
XLogP4.21
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,5-difluorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazole
CID 141164271
5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-1-[2-(trifluoromethyl)phenyl]pyrazole
CID 141164267
2-[4-chloro-1-(3-fluoro-4-pyridinyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol
CID 59632200
1-(2,4-difluorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-3-(trifluoromethyl)pyrazole
CID 68656654
3-[2-[5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine
CID 59633327
2-[1-(3-fluoro-2-pyridinyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol
CID 59632134
4-bromo-1-(2-bromophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazole
CID 141164293
1-(2-bromophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-3-(trifluoromethyl)pyrazole
CID 68656338
1-(2,5-dichlorophenyl)-5-[5-(3-methylsulfinylphenyl)thiophen-2-yl]pyrazole
CID 68655573
1-(2-chlorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-N-pyridin-3-ylpyrazole-3-carboxamide
CID 59631670
1-(5-chloro-2-phenoxyphenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-3-(trifluoromethyl)pyrazole
CID 68656103
[5-(3-methylsulfonylphenyl)thiophen-2-yl]methanamine
CID 159006983

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-1-yl]pyridine?
The IUPAC name of 3-fluoro-4-[5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-1-yl]pyridine (CID 141164262) is 3-fluoro-4-[5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-1-yl]pyridine.
What is the SMILES notation for 3-fluoro-4-[5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-1-yl]pyridine?
The canonical SMILES for 3-fluoro-4-[5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-1-yl]pyridine is CS(=O)(=O)c1cccc(-c2ccc(-c3ccnn3-c3ccncc3F)s2)c1.
What is the InChIKey of 3-fluoro-4-[5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-1-yl]pyridine?
The InChIKey is WIGMGTPDKLXOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O2S2/c1-27(24,25)14-4-2-3-13(11-14)18-5-6-19(26-18)17-8-10-22-23(17)16-7-9-21-12-15(16)20/h2-12H,1H3.
What are the key properties of 3-fluoro-4-[5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-1-yl]pyridine?
3-fluoro-4-[5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-1-yl]pyridine has a molecular weight of 399.47 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-1-yl]pyridine is sourced from PubChem (CID 141164262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).