2-[5-(4-bromophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole

C24H17BrFN3S — CID 46936084

IUPAC2-[5-(4-bromophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole
SMILESFc1ccc(C2CC(c3ccc(Br)cc3)=NN2c2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C24H17BrFN3S/c25-19-10-6-17(7-11-19)21-14-23(18-8-12-20(26)13-9-18)29(28-21)24-27-22(15-30-24)16-4-2-1-3-5-16/h1-13,15,23H,14H2
InChIKeyPQRAWFCSJYTMAI-UHFFFAOYSA-N
MW478.39 g/mol
LogP7.07
Rot. Bonds4

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

2-[5-(4-bromophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole (PubChem CID 46936084) has the molecular formula C24H17BrFN3S and a molecular weight of 478.39 g/mol. Its IUPAC name is 2-[5-(4-bromophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole.

Molecular Properties

Compound Name2-[5-(4-bromophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole
PubChem CID46936084
Molecular FormulaC24H17BrFN3S
Molecular Weight478.39 g/mol
Exact Mass477.03
IUPAC Name2-[5-(4-bromophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole
SMILESFc1ccc(C2CC(c3ccc(Br)cc3)=NN2c2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C24H17BrFN3S/c25-19-10-6-17(7-11-19)21-14-23(18-8-12-20(26)13-9-18)29(28-21)24-27-22(15-30-24)16-4-2-1-3-5-16/h1-13,15,23H,14H2
InChIKeyPQRAWFCSJYTMAI-UHFFFAOYSA-N
XLogP7.07
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.39
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-bromophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole?
The IUPAC name of 2-[5-(4-bromophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole (CID 46936084) is 2-[5-(4-bromophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole.
What is the SMILES notation for 2-[5-(4-bromophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole?
The canonical SMILES for 2-[5-(4-bromophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole is Fc1ccc(C2CC(c3ccc(Br)cc3)=NN2c2nc(-c3ccccc3)cs2)cc1.
What is the InChIKey of 2-[5-(4-bromophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole?
The InChIKey is PQRAWFCSJYTMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17BrFN3S/c25-19-10-6-17(7-11-19)21-14-23(18-8-12-20(26)13-9-18)29(28-21)24-27-22(15-30-24)16-4-2-1-3-5-16/h1-13,15,23H,14H2.
What are the key properties of 2-[5-(4-bromophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole?
2-[5-(4-bromophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole has a molecular weight of 478.39 g/mol, XLogP of 7.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-bromophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole is sourced from PubChem (CID 46936084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).