1-(2,5-difluorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazole

C20H14F2N2O2S2 — CID 141164271

IUPAC1-(2,5-difluorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazole
SMILESCS(=O)(=O)c1cccc(-c2ccc(-c3ccnn3-c3cc(F)ccc3F)s2)c1
InChIInChI=1S/C20H14F2N2O2S2/c1-28(25,26)15-4-2-3-13(11-15)19-7-8-20(27-19)17-9-10-23-24(17)18-12-14(21)5-6-16(18)22/h2-12H,1H3
InChIKeyVSQUHXMDABTRPR-UHFFFAOYSA-N
MW416.47 g/mol
LogP4.95
Rot. Bonds4

About 1-(2,5-difluorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazole

1-(2,5-difluorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazole (PubChem CID 141164271) has the molecular formula C20H14F2N2O2S2 and a molecular weight of 416.47 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazole.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazole
PubChem CID141164271
Molecular FormulaC20H14F2N2O2S2
Molecular Weight416.47 g/mol
Exact Mass416.05
IUPAC Name1-(2,5-difluorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazole
SMILESCS(=O)(=O)c1cccc(-c2ccc(-c3ccnn3-c3cc(F)ccc3F)s2)c1
InChIInChI=1S/C20H14F2N2O2S2/c1-28(25,26)15-4-2-3-13(11-15)19-7-8-20(27-19)17-9-10-23-24(17)18-12-14(21)5-6-16(18)22/h2-12H,1H3
InChIKeyVSQUHXMDABTRPR-UHFFFAOYSA-N
XLogP4.95
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.47
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-4-[5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-1-yl]pyridine
CID 141164262
5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-1-[2-(trifluoromethyl)phenyl]pyrazole
CID 141164267
1-(2,4-difluorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-3-(trifluoromethyl)pyrazole
CID 68656654
2-[1-(3-fluoro-2-pyridinyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol
CID 59632134
1-(2,5-dichlorophenyl)-5-[5-(3-methylsulfinylphenyl)thiophen-2-yl]pyrazole
CID 68655573
1-(2-bromophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-3-(trifluoromethyl)pyrazole
CID 68656338
3-[2-[5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine
CID 59633327
ethyl 1-(2-fluorophenyl)-2-methyl-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrrole-3-carboxylate
CID 68655496
4-bromo-1-(2-bromophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazole
CID 141164293
1,2-difluoro-4-(3-methylsulfonylphenyl)benzene
CID 57118843
1-[(2,4-difluorophenyl)methyl]-6-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 59726531
1-(5-chloro-2-phenoxyphenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-3-(trifluoromethyl)pyrazole
CID 68656103

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazole?
The IUPAC name of 1-(2,5-difluorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazole (CID 141164271) is 1-(2,5-difluorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazole.
What is the SMILES notation for 1-(2,5-difluorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazole?
The canonical SMILES for 1-(2,5-difluorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazole is CS(=O)(=O)c1cccc(-c2ccc(-c3ccnn3-c3cc(F)ccc3F)s2)c1.
What is the InChIKey of 1-(2,5-difluorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazole?
The InChIKey is VSQUHXMDABTRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N2O2S2/c1-28(25,26)15-4-2-3-13(11-15)19-7-8-20(27-19)17-9-10-23-24(17)18-12-14(21)5-6-16(18)22/h2-12H,1H3.
What are the key properties of 1-(2,5-difluorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazole?
1-(2,5-difluorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazole has a molecular weight of 416.47 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazole is sourced from PubChem (CID 141164271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).