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

C25H19Cl2N3OS — CID 45151186

IUPAC4-(4-chlorophenyl)-2-[3-(4-chlorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole
SMILESCOc1ccc(C2=NN(c3nc(-c4ccc(Cl)cc4)cs3)C(c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C25H19Cl2N3OS/c1-31-21-12-6-16(7-13-21)22-14-24(18-4-10-20(27)11-5-18)30(29-22)25-28-23(15-32-25)17-2-8-19(26)9-3-17/h2-13,15,24H,14H2,1H3
InChIKeyHIELYTWNWLPBNW-UHFFFAOYSA-N
MW480.42 g/mol
LogP7.48
Rot. Bonds5

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

4-(4-chlorophenyl)-2-[3-(4-chlorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole (PubChem CID 45151186) has the molecular formula C25H19Cl2N3OS and a molecular weight of 480.42 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-[3-(4-chlorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-[3-(4-chlorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole
PubChem CID45151186
Molecular FormulaC25H19Cl2N3OS
Molecular Weight480.42 g/mol
Exact Mass479.06
IUPAC Name4-(4-chlorophenyl)-2-[3-(4-chlorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole
SMILESCOc1ccc(C2=NN(c3nc(-c4ccc(Cl)cc4)cs3)C(c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C25H19Cl2N3OS/c1-31-21-12-6-16(7-13-21)22-14-24(18-4-10-20(27)11-5-18)30(29-22)25-28-23(15-32-25)17-2-8-19(26)9-3-17/h2-13,15,24H,14H2,1H3
InChIKeyHIELYTWNWLPBNW-UHFFFAOYSA-N
XLogP7.48
TPSA37.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.42
LogP ≤ 57.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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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
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-[5-(4-Chlorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-(4-methoxyphenyl)-1,3-thiazole
CID 45151115
4-(4-Chlorophenyl)-2-[5-(3,4-dimethylphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole
CID 46936082
5-benzyl-4-(2,4-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]thiazol-2-amine
CID 118712410
5-benzyl-4-(2-chlorophenyl)-N-[(4-methoxyphenyl)methyl]thiazol-2-amine
CID 118713013
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
2-[3-(4-Bromophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole
CID 156784855
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

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-[3-(4-chlorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole?
The IUPAC name of 4-(4-chlorophenyl)-2-[3-(4-chlorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole (CID 45151186) is 4-(4-chlorophenyl)-2-[3-(4-chlorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole.
What is the SMILES notation for 4-(4-chlorophenyl)-2-[3-(4-chlorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole?
The canonical SMILES for 4-(4-chlorophenyl)-2-[3-(4-chlorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole is COc1ccc(C2=NN(c3nc(-c4ccc(Cl)cc4)cs3)C(c3ccc(Cl)cc3)C2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-2-[3-(4-chlorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole?
The InChIKey is HIELYTWNWLPBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19Cl2N3OS/c1-31-21-12-6-16(7-13-21)22-14-24(18-4-10-20(27)11-5-18)30(29-22)25-28-23(15-32-25)17-2-8-19(26)9-3-17/h2-13,15,24H,14H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-2-[3-(4-chlorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole?
4-(4-chlorophenyl)-2-[3-(4-chlorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole has a molecular weight of 480.42 g/mol, XLogP of 7.48, 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-[3-(4-chlorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole is sourced from PubChem (CID 45151186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).