1-(2,5-dichlorophenyl)-5-(5-phenylthiophen-2-yl)-3-(trifluoromethyl)pyrazole

C20H11Cl2F3N2S — CID 141164287

IUPAC1-(2,5-dichlorophenyl)-5-(5-phenylthiophen-2-yl)-3-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1cc(-c2ccc(-c3ccccc3)s2)n(-c2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C20H11Cl2F3N2S/c21-13-6-7-14(22)15(10-13)27-16(11-19(26-27)20(23,24)25)18-9-8-17(28-18)12-4-2-1-3-5-12/h1-11H
InChIKeyTYBVIHJEZQMFDZ-UHFFFAOYSA-N
MW439.29 g/mol
LogP7.59
Rot. Bonds3

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

1-(2,5-dichlorophenyl)-5-(5-phenylthiophen-2-yl)-3-(trifluoromethyl)pyrazole (PubChem CID 141164287) has the molecular formula C20H11Cl2F3N2S and a molecular weight of 439.29 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-5-(5-phenylthiophen-2-yl)-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-5-(5-phenylthiophen-2-yl)-3-(trifluoromethyl)pyrazole
PubChem CID141164287
Molecular FormulaC20H11Cl2F3N2S
Molecular Weight439.29 g/mol
Exact Mass438.00
IUPAC Name1-(2,5-dichlorophenyl)-5-(5-phenylthiophen-2-yl)-3-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1cc(-c2ccc(-c3ccccc3)s2)n(-c2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C20H11Cl2F3N2S/c21-13-6-7-14(22)15(10-13)27-16(11-19(26-27)20(23,24)25)18-9-8-17(28-18)12-4-2-1-3-5-12/h1-11H
InChIKeyTYBVIHJEZQMFDZ-UHFFFAOYSA-N
XLogP7.59
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.29
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-phenoxyphenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-3-(trifluoromethyl)pyrazole
CID 68656103
2-[4-[5-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]phenyl]acetic acid
CID 68655608
1-(2-bromophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-3-(trifluoromethyl)pyrazole
CID 68656338
[5-[5-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]-3-pyridinyl] acetate
CID 150634139
1-(2,4-difluorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-3-(trifluoromethyl)pyrazole
CID 68656654
tert-butyl 2-[3-[5-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]phenoxy]-2-methylpropanoate;2-[3-[5-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]phenoxy]-2-methylpropanoic acid;dichloromethane;methyl formate
CID 159953436
1-(2,5-dichlorophenyl)-5-[5-(3-methylsulfinylphenyl)thiophen-2-yl]pyrazole
CID 68655573
3-[2-[5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine
CID 59633327
2-[1-(2-chlorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]-N,N-dimethylpropan-2-amine
CID 59632540
1-(2-chlorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-3-(2-pyrrolidin-1-ylpropan-2-yl)pyrazole
CID 59631744
3-[difluoro(methoxy)methyl]-5-[5-(3-methylsulfinylphenyl)thiophen-2-yl]-1-[2-(trifluoromethyl)phenyl]pyrazole
CID 143385944
(3-chlorophenyl)methylazanide;1-(2,5-dichlorophenyl)-3-(trifluoromethyl)pyrazole-5-carboxylic acid
CID 157403272

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-5-(5-phenylthiophen-2-yl)-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-(2,5-dichlorophenyl)-5-(5-phenylthiophen-2-yl)-3-(trifluoromethyl)pyrazole (CID 141164287) is 1-(2,5-dichlorophenyl)-5-(5-phenylthiophen-2-yl)-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-5-(5-phenylthiophen-2-yl)-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-(2,5-dichlorophenyl)-5-(5-phenylthiophen-2-yl)-3-(trifluoromethyl)pyrazole is FC(F)(F)c1cc(-c2ccc(-c3ccccc3)s2)n(-c2cc(Cl)ccc2Cl)n1.
What is the InChIKey of 1-(2,5-dichlorophenyl)-5-(5-phenylthiophen-2-yl)-3-(trifluoromethyl)pyrazole?
The InChIKey is TYBVIHJEZQMFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11Cl2F3N2S/c21-13-6-7-14(22)15(10-13)27-16(11-19(26-27)20(23,24)25)18-9-8-17(28-18)12-4-2-1-3-5-12/h1-11H.
What are the key properties of 1-(2,5-dichlorophenyl)-5-(5-phenylthiophen-2-yl)-3-(trifluoromethyl)pyrazole?
1-(2,5-dichlorophenyl)-5-(5-phenylthiophen-2-yl)-3-(trifluoromethyl)pyrazole has a molecular weight of 439.29 g/mol, XLogP of 7.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-5-(5-phenylthiophen-2-yl)-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 141164287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).