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

C25H20BrN3OS — CID 56665233

IUPAC2-[3-(4-bromophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole
SMILESCOc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)C(c3ccc(Br)cc3)C2)cc1
InChIInChI=1S/C25H20BrN3OS/c1-30-21-13-9-18(10-14-21)22-15-24(19-7-11-20(26)12-8-19)29(28-22)25-27-23(16-31-25)17-5-3-2-4-6-17/h2-14,16,24H,15H2,1H3
InChIKeySNWZOGJDJQYMCL-UHFFFAOYSA-N
MW490.43 g/mol
LogP6.94
Rot. Bonds5

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

2-[3-(4-bromophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole (PubChem CID 56665233) has the molecular formula C25H20BrN3OS and a molecular weight of 490.43 g/mol. Its IUPAC name is 2-[3-(4-bromophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole.

Molecular Properties

Compound Name2-[3-(4-bromophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole
PubChem CID56665233
Molecular FormulaC25H20BrN3OS
Molecular Weight490.43 g/mol
Exact Mass489.05
IUPAC Name2-[3-(4-bromophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole
SMILESCOc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)C(c3ccc(Br)cc3)C2)cc1
InChIInChI=1S/C25H20BrN3OS/c1-30-21-13-9-18(10-14-21)22-15-24(19-7-11-20(26)12-8-19)29(28-22)25-27-23(16-31-25)17-5-3-2-4-6-17/h2-14,16,24H,15H2,1H3
InChIKeySNWZOGJDJQYMCL-UHFFFAOYSA-N
XLogP6.94
TPSA37.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.43
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(4-Bromophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-(4-methoxyphenyl)-1,3-thiazole
CID 70690380
N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-4-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 5711373
N'-(4-methoxybenzylidene)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetohydrazide
CID 9622500
4-(4-Methoxyphenyl)-2-[5-(4-methylphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazole
CID 45150869
2-[3-(1,3-Benzodioxol-5-yl)-5-(4-bromophenyl)-3,4-dihydropyrazol-2-yl]-4-(4-methoxyphenyl)-1,3-thiazole
CID 71508797
2-[3-(1,3-Benzodioxol-5-yl)-5-(4-bromophenyl)-3,4-dihydropyrazol-2-yl]-4-(4-bromophenyl)-1,3-thiazole
CID 71508798
2-[5-(4-Bromophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydropyrazol-2-yl]-4-(4-methoxyphenyl)-1,3-thiazole
CID 71508888
4-(4-Bromophenyl)-2-[5-(4-bromophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole
CID 71508889
2-[5-(3,4-Dimethylphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole
CID 46936027
2-[2-[4-(3-Bromophenyl)-1,3-thiazol-2-yl]-5-phenyl-3,4-dihydropyrazol-3-yl]phenol
CID 155563852
2-[3-(4-Bromophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole
CID 156784855
2-[3-(4-Bromophenyl)-5-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole
CID 156784856

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-bromophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole?
The IUPAC name of 2-[3-(4-bromophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole (CID 56665233) is 2-[3-(4-bromophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole.
What is the SMILES notation for 2-[3-(4-bromophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole?
The canonical SMILES for 2-[3-(4-bromophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole is COc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)C(c3ccc(Br)cc3)C2)cc1.
What is the InChIKey of 2-[3-(4-bromophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole?
The InChIKey is SNWZOGJDJQYMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20BrN3OS/c1-30-21-13-9-18(10-14-21)22-15-24(19-7-11-20(26)12-8-19)29(28-22)25-27-23(16-31-25)17-5-3-2-4-6-17/h2-14,16,24H,15H2,1H3.
What are the key properties of 2-[3-(4-bromophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole?
2-[3-(4-bromophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole has a molecular weight of 490.43 g/mol, XLogP of 6.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-bromophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole is sourced from PubChem (CID 56665233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).