2-[3-(4-bromophenyl)-5-(trifluoromethyl)pyrazol-1-yl]-4-phenyl-1,3-thiazole

C19H11BrF3N3S — CID 2717922

IUPAC2-[3-(4-bromophenyl)-5-(trifluoromethyl)pyrazol-1-yl]-4-phenyl-1,3-thiazole
SMILESFC(F)(F)c1cc(-c2ccc(Br)cc2)nn1-c1nc(-c2ccccc2)cs1
InChIInChI=1S/C19H11BrF3N3S/c20-14-8-6-13(7-9-14)15-10-17(19(21,22)23)26(25-15)18-24-16(11-27-18)12-4-2-1-3-5-12/h1-11H
InChIKeyBNNRUITWNCLXFR-UHFFFAOYSA-N
MW450.28 g/mol
LogP6.44
Rot. Bonds3

About 2-[3-(4-bromophenyl)-5-(trifluoromethyl)pyrazol-1-yl]-4-phenyl-1,3-thiazole

2-[3-(4-bromophenyl)-5-(trifluoromethyl)pyrazol-1-yl]-4-phenyl-1,3-thiazole (PubChem CID 2717922) has the molecular formula C19H11BrF3N3S and a molecular weight of 450.28 g/mol. Its IUPAC name is 2-[3-(4-bromophenyl)-5-(trifluoromethyl)pyrazol-1-yl]-4-phenyl-1,3-thiazole.

Molecular Properties

Compound Name2-[3-(4-bromophenyl)-5-(trifluoromethyl)pyrazol-1-yl]-4-phenyl-1,3-thiazole
PubChem CID2717922
Molecular FormulaC19H11BrF3N3S
Molecular Weight450.28 g/mol
Exact Mass448.98
IUPAC Name2-[3-(4-bromophenyl)-5-(trifluoromethyl)pyrazol-1-yl]-4-phenyl-1,3-thiazole
SMILESFC(F)(F)c1cc(-c2ccc(Br)cc2)nn1-c1nc(-c2ccccc2)cs1
InChIInChI=1S/C19H11BrF3N3S/c20-14-8-6-13(7-9-14)15-10-17(19(21,22)23)26(25-15)18-24-16(11-27-18)12-4-2-1-3-5-12/h1-11H
InChIKeyBNNRUITWNCLXFR-UHFFFAOYSA-N
XLogP6.44
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.28
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-bromophenyl)-5-(trifluoromethyl)pyrazol-1-yl]-4-phenyl-1,3-thiazole?
The IUPAC name of 2-[3-(4-bromophenyl)-5-(trifluoromethyl)pyrazol-1-yl]-4-phenyl-1,3-thiazole (CID 2717922) is 2-[3-(4-bromophenyl)-5-(trifluoromethyl)pyrazol-1-yl]-4-phenyl-1,3-thiazole.
What is the SMILES notation for 2-[3-(4-bromophenyl)-5-(trifluoromethyl)pyrazol-1-yl]-4-phenyl-1,3-thiazole?
The canonical SMILES for 2-[3-(4-bromophenyl)-5-(trifluoromethyl)pyrazol-1-yl]-4-phenyl-1,3-thiazole is FC(F)(F)c1cc(-c2ccc(Br)cc2)nn1-c1nc(-c2ccccc2)cs1.
What is the InChIKey of 2-[3-(4-bromophenyl)-5-(trifluoromethyl)pyrazol-1-yl]-4-phenyl-1,3-thiazole?
The InChIKey is BNNRUITWNCLXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11BrF3N3S/c20-14-8-6-13(7-9-14)15-10-17(19(21,22)23)26(25-15)18-24-16(11-27-18)12-4-2-1-3-5-12/h1-11H.
What are the key properties of 2-[3-(4-bromophenyl)-5-(trifluoromethyl)pyrazol-1-yl]-4-phenyl-1,3-thiazole?
2-[3-(4-bromophenyl)-5-(trifluoromethyl)pyrazol-1-yl]-4-phenyl-1,3-thiazole has a molecular weight of 450.28 g/mol, XLogP of 6.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-bromophenyl)-5-(trifluoromethyl)pyrazol-1-yl]-4-phenyl-1,3-thiazole is sourced from PubChem (CID 2717922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).