1-phenyl-5-(5-phenylthiophen-2-yl)-3-(trifluoromethyl)pyrazole

C20H13F3N2S — CID 59632071

IUPAC1-phenyl-5-(5-phenylthiophen-2-yl)-3-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1cc(-c2ccc(-c3ccccc3)s2)n(-c2ccccc2)n1
InChIInChI=1S/C20H13F3N2S/c21-20(22,23)19-13-16(25(24-19)15-9-5-2-6-10-15)18-12-11-17(26-18)14-7-3-1-4-8-14/h1-13H
InChIKeySXXITRRDEUQPQM-UHFFFAOYSA-N
MW370.40 g/mol
LogP6.29
Rot. Bonds3

About 1-phenyl-5-(5-phenylthiophen-2-yl)-3-(trifluoromethyl)pyrazole

1-phenyl-5-(5-phenylthiophen-2-yl)-3-(trifluoromethyl)pyrazole (PubChem CID 59632071) has the molecular formula C20H13F3N2S and a molecular weight of 370.40 g/mol. Its IUPAC name is 1-phenyl-5-(5-phenylthiophen-2-yl)-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-phenyl-5-(5-phenylthiophen-2-yl)-3-(trifluoromethyl)pyrazole
PubChem CID59632071
Molecular FormulaC20H13F3N2S
Molecular Weight370.40 g/mol
Exact Mass370.08
IUPAC Name1-phenyl-5-(5-phenylthiophen-2-yl)-3-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1cc(-c2ccc(-c3ccccc3)s2)n(-c2ccccc2)n1
InChIInChI=1S/C20H13F3N2S/c21-20(22,23)19-13-16(25(24-19)15-9-5-2-6-10-15)18-12-11-17(26-18)14-7-3-1-4-8-14/h1-13H
InChIKeySXXITRRDEUQPQM-UHFFFAOYSA-N
XLogP6.29
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.40
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,5-Diphenyl-3-trifluoromethyl-1H-pyrazole
CID 10424186
1-(4-(methylsulfonyl)phenyl)-5-p-tolyl-3-(trifluoromethyl)-1H-pyrazole
CID 10362365
4-(5-Benzo[b]thiophen-3-yl-3-trifluoromethyl-pyrazol-1-yl)-benzenesulfonamide
CID 10622186
1-(2-Chlorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-3-(trifluoromethyl)pyrazole
CID 59632482
5-[5-(3-Methylsulfonylphenyl)thiophen-2-yl]-3-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]pyrazole
CID 59632565
1-[(2,4-Difluorophenyl)methyl]-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-3-(trifluoromethyl)pyrazole
CID 68655604
1-[4-(Methylsulfonyl)phenyl]-3-(trifluoromethyl)-5-phenyl-1H-pyrazole
CID 19001581
2-phenyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]ethanamine
CID 4792479
4-[5-Phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenecarbothioamide
CID 71727431
1-(4-(methylthio)phenyl)-5-p-tolyl-3-(trifluoromethyl)-1H-pyrazole
CID 44427625
1,3-Diphenyl-5-trifluoromethyl-1H-pyrazole
CID 11140750
1H-Pyrrole, 1-(4-fluorophenyl)-2-phenyl-5-(2-thienyl)-
CID 3021801

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-5-(5-phenylthiophen-2-yl)-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-phenyl-5-(5-phenylthiophen-2-yl)-3-(trifluoromethyl)pyrazole (CID 59632071) is 1-phenyl-5-(5-phenylthiophen-2-yl)-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-phenyl-5-(5-phenylthiophen-2-yl)-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-phenyl-5-(5-phenylthiophen-2-yl)-3-(trifluoromethyl)pyrazole is FC(F)(F)c1cc(-c2ccc(-c3ccccc3)s2)n(-c2ccccc2)n1.
What is the InChIKey of 1-phenyl-5-(5-phenylthiophen-2-yl)-3-(trifluoromethyl)pyrazole?
The InChIKey is SXXITRRDEUQPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N2S/c21-20(22,23)19-13-16(25(24-19)15-9-5-2-6-10-15)18-12-11-17(26-18)14-7-3-1-4-8-14/h1-13H.
What are the key properties of 1-phenyl-5-(5-phenylthiophen-2-yl)-3-(trifluoromethyl)pyrazole?
1-phenyl-5-(5-phenylthiophen-2-yl)-3-(trifluoromethyl)pyrazole has a molecular weight of 370.40 g/mol, XLogP of 6.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-5-(5-phenylthiophen-2-yl)-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 59632071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).