5-[5-[3,5-bis(trifluoromethyl)phenyl]thiophen-2-yl]-1-(2-chlorophenyl)pyrazole

C21H11ClF6N2S — CID 141164289

IUPAC5-[5-[3,5-bis(trifluoromethyl)phenyl]thiophen-2-yl]-1-(2-chlorophenyl)pyrazole
SMILESFC(F)(F)c1cc(-c2ccc(-c3ccnn3-c3ccccc3Cl)s2)cc(C(F)(F)F)c1
InChIInChI=1S/C21H11ClF6N2S/c22-15-3-1-2-4-16(15)30-17(7-8-29-30)19-6-5-18(31-19)12-9-13(20(23,24)25)11-14(10-12)21(26,27)28/h1-11H
InChIKeyYOSSAODZVQJJLP-UHFFFAOYSA-N
MW472.84 g/mol
LogP7.96
Rot. Bonds3

About 5-[5-[3,5-bis(trifluoromethyl)phenyl]thiophen-2-yl]-1-(2-chlorophenyl)pyrazole

5-[5-[3,5-bis(trifluoromethyl)phenyl]thiophen-2-yl]-1-(2-chlorophenyl)pyrazole (PubChem CID 141164289) has the molecular formula C21H11ClF6N2S and a molecular weight of 472.84 g/mol. Its IUPAC name is 5-[5-[3,5-bis(trifluoromethyl)phenyl]thiophen-2-yl]-1-(2-chlorophenyl)pyrazole.

Molecular Properties

Compound Name5-[5-[3,5-bis(trifluoromethyl)phenyl]thiophen-2-yl]-1-(2-chlorophenyl)pyrazole
PubChem CID141164289
Molecular FormulaC21H11ClF6N2S
Molecular Weight472.84 g/mol
Exact Mass472.02
IUPAC Name5-[5-[3,5-bis(trifluoromethyl)phenyl]thiophen-2-yl]-1-(2-chlorophenyl)pyrazole
SMILESFC(F)(F)c1cc(-c2ccc(-c3ccnn3-c3ccccc3Cl)s2)cc(C(F)(F)F)c1
InChIInChI=1S/C21H11ClF6N2S/c22-15-3-1-2-4-16(15)30-17(7-8-29-30)19-6-5-18(31-19)12-9-13(20(23,24)25)11-14(10-12)21(26,27)28/h1-11H
InChIKeyYOSSAODZVQJJLP-UHFFFAOYSA-N
XLogP7.96
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.84
LogP ≤ 57.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-chloro-5-(trifluoromethyl)phenyl]-5-phenylpyrazole
CID 101073721
2-[2-(2-chlorophenyl)pyrazol-3-yl]pyrimidine
CID 56956121
5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-1-[2-(trifluoromethyl)phenyl]pyrazole
CID 141164267
1-(2,5-dichlorophenyl)-5-[5-(3-methylsulfinylphenyl)thiophen-2-yl]pyrazole
CID 68655573
1-phenyl-5-(5-phenylthiophen-2-yl)pyrazole
CID 59632631
2-[4-[5-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]phenyl]acetic acid
CID 68655608
1-(2,5-dichlorophenyl)-5-(5-phenylthiophen-2-yl)-3-(trifluoromethyl)pyrazole
CID 141164287
1-[4-bromo-2-[2-(2-chlorophenyl)pyrazol-3-yl]phenyl]-2-methyl-4-(trifluoromethyl)imidazole
CID 90424064
[5-[5-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]-3-pyridinyl] acetate
CID 150634139
1-(2,5-difluorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazole
CID 141164271
3-fluoro-4-[5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-1-yl]pyridine
CID 141164262
1-[[1-(2-chlorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 59631863

Frequently Asked Questions

What is the IUPAC name of 5-[5-[3,5-bis(trifluoromethyl)phenyl]thiophen-2-yl]-1-(2-chlorophenyl)pyrazole?
The IUPAC name of 5-[5-[3,5-bis(trifluoromethyl)phenyl]thiophen-2-yl]-1-(2-chlorophenyl)pyrazole (CID 141164289) is 5-[5-[3,5-bis(trifluoromethyl)phenyl]thiophen-2-yl]-1-(2-chlorophenyl)pyrazole.
What is the SMILES notation for 5-[5-[3,5-bis(trifluoromethyl)phenyl]thiophen-2-yl]-1-(2-chlorophenyl)pyrazole?
The canonical SMILES for 5-[5-[3,5-bis(trifluoromethyl)phenyl]thiophen-2-yl]-1-(2-chlorophenyl)pyrazole is FC(F)(F)c1cc(-c2ccc(-c3ccnn3-c3ccccc3Cl)s2)cc(C(F)(F)F)c1.
What is the InChIKey of 5-[5-[3,5-bis(trifluoromethyl)phenyl]thiophen-2-yl]-1-(2-chlorophenyl)pyrazole?
The InChIKey is YOSSAODZVQJJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H11ClF6N2S/c22-15-3-1-2-4-16(15)30-17(7-8-29-30)19-6-5-18(31-19)12-9-13(20(23,24)25)11-14(10-12)21(26,27)28/h1-11H.
What are the key properties of 5-[5-[3,5-bis(trifluoromethyl)phenyl]thiophen-2-yl]-1-(2-chlorophenyl)pyrazole?
5-[5-[3,5-bis(trifluoromethyl)phenyl]thiophen-2-yl]-1-(2-chlorophenyl)pyrazole has a molecular weight of 472.84 g/mol, XLogP of 7.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[3,5-bis(trifluoromethyl)phenyl]thiophen-2-yl]-1-(2-chlorophenyl)pyrazole is sourced from PubChem (CID 141164289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).