4-(4-chlorophenyl)-2-[5-(3,4-dimethylphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole

C27H24ClN3OS — CID 46936082

IUPAC4-(4-chlorophenyl)-2-[5-(3,4-dimethylphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole
SMILESCOc1ccc(C2CC(c3ccc(C)c(C)c3)=NN2c2nc(-c3ccc(Cl)cc3)cs2)cc1
InChIInChI=1S/C27H24ClN3OS/c1-17-4-5-21(14-18(17)2)24-15-26(20-8-12-23(32-3)13-9-20)31(30-24)27-29-25(16-33-27)19-6-10-22(28)11-7-19/h4-14,16,26H,15H2,1-3H3
InChIKeyDEEISBGSUUROMS-UHFFFAOYSA-N
MW474.03 g/mol
LogP7.44
Rot. Bonds5

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

4-(4-chlorophenyl)-2-[5-(3,4-dimethylphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole (PubChem CID 46936082) has the molecular formula C27H24ClN3OS and a molecular weight of 474.03 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-[5-(3,4-dimethylphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-[5-(3,4-dimethylphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole
PubChem CID46936082
Molecular FormulaC27H24ClN3OS
Molecular Weight474.03 g/mol
Exact Mass473.13
IUPAC Name4-(4-chlorophenyl)-2-[5-(3,4-dimethylphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole
SMILESCOc1ccc(C2CC(c3ccc(C)c(C)c3)=NN2c2nc(-c3ccc(Cl)cc3)cs2)cc1
InChIInChI=1S/C27H24ClN3OS/c1-17-4-5-21(14-18(17)2)24-15-26(20-8-12-23(32-3)13-9-20)31(30-24)27-29-25(16-33-27)19-6-10-22(28)11-7-19/h4-14,16,26H,15H2,1-3H3
InChIKeyDEEISBGSUUROMS-UHFFFAOYSA-N
XLogP7.44
TPSA37.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.03
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-3-yl]phenol
CID 46936083
4-(4-Methoxyphenyl)-2-[5-(4-methylphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazole
CID 45150869
2-[5-(4-Chlorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-(4-methoxyphenyl)-1,3-thiazole
CID 45151115
4-[2-[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]-5-(4-methoxyphenyl)-3,4-dihydropyrazol-3-yl]-2-methoxyphenol
CID 118728575
2-[5-(3,4-Dimethylphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole
CID 46936027
4-[5-(3,4-Dimethylphenyl)-2-(4-phenyl-1,3-thiazol-2-yl)-3,4-dihydropyrazol-3-yl]phenol
CID 46936028
2-[5-(2-Methoxyphenyl)-3-(2-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole
CID 156784859
2-[5-(2-Methoxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole
CID 156784870
2-[3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-(4-chlorophenyl)-1,3-thiazole
CID 2839887
2-[5-(4-Methoxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole
CID 45151149
2-[5-(4-Methoxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole
CID 45151150
4-(4-Chlorophenyl)-2-[5-(4-methoxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole
CID 45151160

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-[5-(3,4-dimethylphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole?
The IUPAC name of 4-(4-chlorophenyl)-2-[5-(3,4-dimethylphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole (CID 46936082) is 4-(4-chlorophenyl)-2-[5-(3,4-dimethylphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole.
What is the SMILES notation for 4-(4-chlorophenyl)-2-[5-(3,4-dimethylphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole?
The canonical SMILES for 4-(4-chlorophenyl)-2-[5-(3,4-dimethylphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole is COc1ccc(C2CC(c3ccc(C)c(C)c3)=NN2c2nc(-c3ccc(Cl)cc3)cs2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-2-[5-(3,4-dimethylphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole?
The InChIKey is DEEISBGSUUROMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClN3OS/c1-17-4-5-21(14-18(17)2)24-15-26(20-8-12-23(32-3)13-9-20)31(30-24)27-29-25(16-33-27)19-6-10-22(28)11-7-19/h4-14,16,26H,15H2,1-3H3.
What are the key properties of 4-(4-chlorophenyl)-2-[5-(3,4-dimethylphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole?
4-(4-chlorophenyl)-2-[5-(3,4-dimethylphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole has a molecular weight of 474.03 g/mol, XLogP of 7.44, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-[5-(3,4-dimethylphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole is sourced from PubChem (CID 46936082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).