3-(4-fluorophenyl)-5-thiophen-2-yl-1-(2,4,6-trichlorophenyl)pyrazole

C19H10Cl3FN2S — CID 102456242

IUPAC3-(4-fluorophenyl)-5-thiophen-2-yl-1-(2,4,6-trichlorophenyl)pyrazole
SMILESFc1ccc(-c2cc(-c3cccs3)n(-c3c(Cl)cc(Cl)cc3Cl)n2)cc1
InChIInChI=1S/C19H10Cl3FN2S/c20-12-8-14(21)19(15(22)9-12)25-17(18-2-1-7-26-18)10-16(24-25)11-3-5-13(23)6-4-11/h1-10H
InChIKeyZLPMTKNDFFVCJW-UHFFFAOYSA-N
MW423.73 g/mol
LogP7.37
Rot. Bonds3

About 3-(4-fluorophenyl)-5-thiophen-2-yl-1-(2,4,6-trichlorophenyl)pyrazole

3-(4-fluorophenyl)-5-thiophen-2-yl-1-(2,4,6-trichlorophenyl)pyrazole (PubChem CID 102456242) has the molecular formula C19H10Cl3FN2S and a molecular weight of 423.73 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-thiophen-2-yl-1-(2,4,6-trichlorophenyl)pyrazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-thiophen-2-yl-1-(2,4,6-trichlorophenyl)pyrazole
PubChem CID102456242
Molecular FormulaC19H10Cl3FN2S
Molecular Weight423.73 g/mol
Exact Mass421.96
IUPAC Name3-(4-fluorophenyl)-5-thiophen-2-yl-1-(2,4,6-trichlorophenyl)pyrazole
SMILESFc1ccc(-c2cc(-c3cccs3)n(-c3c(Cl)cc(Cl)cc3Cl)n2)cc1
InChIInChI=1S/C19H10Cl3FN2S/c20-12-8-14(21)19(15(22)9-12)25-17(18-2-1-7-26-18)10-16(24-25)11-3-5-13(23)6-4-11/h1-10H
InChIKeyZLPMTKNDFFVCJW-UHFFFAOYSA-N
XLogP7.37
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.73
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)-1-methyl-5-thiophen-2-ylpyrazole
CID 56998816
3-(4-nitrophenyl)-1-phenyl-5-thiophen-2-ylpyrazole
CID 102358360
5-(4-chlorophenyl)-1-methyl-3-thiophen-2-ylpyrazole
CID 57160963
[1-(4-fluorophenyl)-5-thiophen-2-ylpyrazol-3-yl]methanamine
CID 82072979
3-(4-fluorophenyl)-1,5-diphenylpyrazole
CID 14978147
4-[6-(4-chlorophenyl)-4-thiophen-2-yl-2-pyridinyl]phenol
CID 137175137
2-(4-chlorophenyl)-8-fluoro-4-thiophen-2-yl-1H-1,3,5-benzotriazepine
CID 23606654
3-(3-chloro-4-fluorophenyl)-6-thiophen-2-ylimidazo[1,2-a]pyrazine
CID 155545000
4-(4-fluorophenyl)-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]-1,3-thiazol-2-amine
CID 133372541
5-(4-chlorophenyl)-3-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)pyrazole
CID 54568096
2-(4-chlorophenyl)-4-(4-methylphenyl)-6-thiophen-2-ylpyridine
CID 102488794
(7S)-7-[(4-fluorophenyl)methylamino]-2-thiophen-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 99741853

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-thiophen-2-yl-1-(2,4,6-trichlorophenyl)pyrazole?
The IUPAC name of 3-(4-fluorophenyl)-5-thiophen-2-yl-1-(2,4,6-trichlorophenyl)pyrazole (CID 102456242) is 3-(4-fluorophenyl)-5-thiophen-2-yl-1-(2,4,6-trichlorophenyl)pyrazole.
What is the SMILES notation for 3-(4-fluorophenyl)-5-thiophen-2-yl-1-(2,4,6-trichlorophenyl)pyrazole?
The canonical SMILES for 3-(4-fluorophenyl)-5-thiophen-2-yl-1-(2,4,6-trichlorophenyl)pyrazole is Fc1ccc(-c2cc(-c3cccs3)n(-c3c(Cl)cc(Cl)cc3Cl)n2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-5-thiophen-2-yl-1-(2,4,6-trichlorophenyl)pyrazole?
The InChIKey is ZLPMTKNDFFVCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10Cl3FN2S/c20-12-8-14(21)19(15(22)9-12)25-17(18-2-1-7-26-18)10-16(24-25)11-3-5-13(23)6-4-11/h1-10H.
What are the key properties of 3-(4-fluorophenyl)-5-thiophen-2-yl-1-(2,4,6-trichlorophenyl)pyrazole?
3-(4-fluorophenyl)-5-thiophen-2-yl-1-(2,4,6-trichlorophenyl)pyrazole has a molecular weight of 423.73 g/mol, XLogP of 7.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-thiophen-2-yl-1-(2,4,6-trichlorophenyl)pyrazole is sourced from PubChem (CID 102456242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).