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

C24H16BrClFN3S — CID 46936131

IUPAC2-[5-(4-bromophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-4-(4-chlorophenyl)-1,3-thiazole
SMILESFc1ccc(C2CC(c3ccc(Br)cc3)=NN2c2nc(-c3ccc(Cl)cc3)cs2)cc1
InChIInChI=1S/C24H16BrClFN3S/c25-18-7-1-15(2-8-18)21-13-23(17-5-11-20(27)12-6-17)30(29-21)24-28-22(14-31-24)16-3-9-19(26)10-4-16/h1-12,14,23H,13H2
InChIKeyVZBPBUWDFDUEBD-UHFFFAOYSA-N
MW512.84 g/mol
LogP7.72
Rot. Bonds4

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

2-[5-(4-bromophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-4-(4-chlorophenyl)-1,3-thiazole (PubChem CID 46936131) has the molecular formula C24H16BrClFN3S and a molecular weight of 512.84 g/mol. Its IUPAC name is 2-[5-(4-bromophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-4-(4-chlorophenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[5-(4-bromophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-4-(4-chlorophenyl)-1,3-thiazole
PubChem CID46936131
Molecular FormulaC24H16BrClFN3S
Molecular Weight512.84 g/mol
Exact Mass510.99
IUPAC Name2-[5-(4-bromophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-4-(4-chlorophenyl)-1,3-thiazole
SMILESFc1ccc(C2CC(c3ccc(Br)cc3)=NN2c2nc(-c3ccc(Cl)cc3)cs2)cc1
InChIInChI=1S/C24H16BrClFN3S/c25-18-7-1-15(2-8-18)21-13-23(17-5-11-20(27)12-6-17)30(29-21)24-28-22(14-31-24)16-3-9-19(26)10-4-16/h1-12,14,23H,13H2
InChIKeyVZBPBUWDFDUEBD-UHFFFAOYSA-N
XLogP7.72
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.84
LogP ≤ 57.72
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-(4-chlorophenyl)-1,3-thiazole?
The IUPAC name of 2-[5-(4-bromophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-4-(4-chlorophenyl)-1,3-thiazole (CID 46936131) is 2-[5-(4-bromophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-4-(4-chlorophenyl)-1,3-thiazole.
What is the SMILES notation for 2-[5-(4-bromophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-4-(4-chlorophenyl)-1,3-thiazole?
The canonical SMILES for 2-[5-(4-bromophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-4-(4-chlorophenyl)-1,3-thiazole is Fc1ccc(C2CC(c3ccc(Br)cc3)=NN2c2nc(-c3ccc(Cl)cc3)cs2)cc1.
What is the InChIKey of 2-[5-(4-bromophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-4-(4-chlorophenyl)-1,3-thiazole?
The InChIKey is VZBPBUWDFDUEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16BrClFN3S/c25-18-7-1-15(2-8-18)21-13-23(17-5-11-20(27)12-6-17)30(29-21)24-28-22(14-31-24)16-3-9-19(26)10-4-16/h1-12,14,23H,13H2.
What are the key properties of 2-[5-(4-bromophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-4-(4-chlorophenyl)-1,3-thiazole?
2-[5-(4-bromophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-4-(4-chlorophenyl)-1,3-thiazole has a molecular weight of 512.84 g/mol, XLogP of 7.72, 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-(4-chlorophenyl)-1,3-thiazole is sourced from PubChem (CID 46936131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).