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

C22H14BrClFN3S2 — CID 118732473

IUPAC4-(4-bromophenyl)-2-[5-(5-chlorothiophen-2-yl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole
SMILESFc1ccc(C2CC(c3ccc(Cl)s3)=NN2c2nc(-c3ccc(Br)cc3)cs2)cc1
InChIInChI=1S/C22H14BrClFN3S2/c23-15-5-1-13(2-6-15)18-12-29-22(26-18)28-19(14-3-7-16(25)8-4-14)11-17(27-28)20-9-10-21(24)30-20/h1-10,12,19H,11H2
InChIKeyMPFNUFQUUDXVFD-UHFFFAOYSA-N
MW518.86 g/mol
LogP7.78
Rot. Bonds4

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

4-(4-bromophenyl)-2-[5-(5-chlorothiophen-2-yl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole (PubChem CID 118732473) has the molecular formula C22H14BrClFN3S2 and a molecular weight of 518.86 g/mol. Its IUPAC name is 4-(4-bromophenyl)-2-[5-(5-chlorothiophen-2-yl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-(4-bromophenyl)-2-[5-(5-chlorothiophen-2-yl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole
PubChem CID118732473
Molecular FormulaC22H14BrClFN3S2
Molecular Weight518.86 g/mol
Exact Mass516.95
IUPAC Name4-(4-bromophenyl)-2-[5-(5-chlorothiophen-2-yl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole
SMILESFc1ccc(C2CC(c3ccc(Cl)s3)=NN2c2nc(-c3ccc(Br)cc3)cs2)cc1
InChIInChI=1S/C22H14BrClFN3S2/c23-15-5-1-13(2-6-15)18-12-29-22(26-18)28-19(14-3-7-16(25)8-4-14)11-17(27-28)20-9-10-21(24)30-20/h1-10,12,19H,11H2
InChIKeyMPFNUFQUUDXVFD-UHFFFAOYSA-N
XLogP7.78
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.86
LogP ≤ 57.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(4-bromophenyl)-2-[5-(5-chlorothiophen-2-yl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-fluorophenyl)-2-[(3S)-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazole
CID 40786752
4-(4-bromophenyl)-2-[3-(4-chlorophenyl)-5-(3-fluoro-4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole
CID 4129722
4-(4-chlorophenyl)-2-[5-(4-fluorophenyl)-3-(4-propan-2-ylphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole;hydrobromide
CID 90484545
2-[(3R)-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole
CID 7124956
4-(4-chlorophenyl)-2-[(3S)-3-(4-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazole
CID 35412863
2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-naphthalen-2-yl-1,3-thiazole
CID 2858379
4-(4-chlorophenyl)-2-[3-(4-fluorophenyl)-5-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole
CID 2840072
2-(4-bromophenyl)-5-(4-chlorophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazole
CID 3144936
4-(4-chlorophenyl)-2-[5-(3,4-dimethylphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole
CID 46936081
2-[3-(4-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-(3-fluoro-4-methoxyphenyl)-1,3-thiazole
CID 5055987
4-(4-methoxyphenyl)-2-[(3S)-3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazole
CID 35413044
4-[4-[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-yl]phenyl]sulfonylmorpholine;hydrobromide
CID 90484557

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-2-[5-(5-chlorothiophen-2-yl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole?
The IUPAC name of 4-(4-bromophenyl)-2-[5-(5-chlorothiophen-2-yl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole (CID 118732473) is 4-(4-bromophenyl)-2-[5-(5-chlorothiophen-2-yl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole.
What is the SMILES notation for 4-(4-bromophenyl)-2-[5-(5-chlorothiophen-2-yl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole?
The canonical SMILES for 4-(4-bromophenyl)-2-[5-(5-chlorothiophen-2-yl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole is Fc1ccc(C2CC(c3ccc(Cl)s3)=NN2c2nc(-c3ccc(Br)cc3)cs2)cc1.
What is the InChIKey of 4-(4-bromophenyl)-2-[5-(5-chlorothiophen-2-yl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole?
The InChIKey is MPFNUFQUUDXVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14BrClFN3S2/c23-15-5-1-13(2-6-15)18-12-29-22(26-18)28-19(14-3-7-16(25)8-4-14)11-17(27-28)20-9-10-21(24)30-20/h1-10,12,19H,11H2.
What are the key properties of 4-(4-bromophenyl)-2-[5-(5-chlorothiophen-2-yl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole?
4-(4-bromophenyl)-2-[5-(5-chlorothiophen-2-yl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole has a molecular weight of 518.86 g/mol, XLogP of 7.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-2-[5-(5-chlorothiophen-2-yl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole is sourced from PubChem (CID 118732473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).