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

C26H22ClN3O3S — CID 118728575

IUPAC4-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(4-methoxyphenyl)-3,4-dihydropyrazol-3-yl]-2-methoxyphenol
SMILESCOc1ccc(C2=NN(c3nc(-c4ccc(Cl)cc4)cs3)C(c3ccc(O)c(OC)c3)C2)cc1
InChIInChI=1S/C26H22ClN3O3S/c1-32-20-10-5-16(6-11-20)21-14-23(18-7-12-24(31)25(13-18)33-2)30(29-21)26-28-22(15-34-26)17-3-8-19(27)9-4-17/h3-13,15,23,31H,14H2,1-2H3
InChIKeyGOEMCYBZCHMFFG-UHFFFAOYSA-N
MW492.00 g/mol
LogP6.54
Rot. Bonds6

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

4-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(4-methoxyphenyl)-3,4-dihydropyrazol-3-yl]-2-methoxyphenol (PubChem CID 118728575) has the molecular formula C26H22ClN3O3S and a molecular weight of 492.00 g/mol. Its IUPAC name is 4-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(4-methoxyphenyl)-3,4-dihydropyrazol-3-yl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(4-methoxyphenyl)-3,4-dihydropyrazol-3-yl]-2-methoxyphenol
PubChem CID118728575
Molecular FormulaC26H22ClN3O3S
Molecular Weight492.00 g/mol
Exact Mass491.11
IUPAC Name4-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(4-methoxyphenyl)-3,4-dihydropyrazol-3-yl]-2-methoxyphenol
SMILESCOc1ccc(C2=NN(c3nc(-c4ccc(Cl)cc4)cs3)C(c3ccc(O)c(OC)c3)C2)cc1
InChIInChI=1S/C26H22ClN3O3S/c1-32-20-10-5-16(6-11-20)21-14-23(18-7-12-24(31)25(13-18)33-2)30(29-21)26-28-22(15-34-26)17-3-8-19(27)9-4-17/h3-13,15,23,31H,14H2,1-2H3
InChIKeyGOEMCYBZCHMFFG-UHFFFAOYSA-N
XLogP6.54
TPSA67.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.00
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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
2-[5-(3,4-Dimethoxy-phenyl)-3-thiophen-2-yl-4,5-dihydro-pyrazol-1-yl]-4-(4-fluoro-phenyl)-thiazole
CID 12004690
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-amino-1-[(4-chlorophenyl)methyl]-4-[4-(3,4-dimethoxyphenyl)-2-thiazolyl]-2H-pyrrol-3-one
CID 135495242
4-(2-{[2-(3,4-Dimethoxyphenyl)ethyl]amino}-1,3-thiazol-4-yl)phenol
CID 1299402
2-[5-(3,4-dimethoxyphenyl)-3-methyl-4,5-dihydro-1H-pyrazol-1-yl]-4-(4-fluorophenyl)-1,3-thiazole
CID 17589777
(E)-2-Methoxy-5-((2-(4-(4-methoxyphenyl)thiazol-2-yl)-hydrazono)methyl)-phenol (20)
CID 91937816
2-[3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-(4-chlorophenyl)-1,3-thiazole
CID 2839887
2-[5-(3,4-dimethoxyphenyl)-3-(2-thienyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-phenyl-1,3-thiazole hydrobromide
CID 2855194
4-(4-Chlorophenyl)-2-[5-(4-methoxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole
CID 45151160
4-(4-Chlorophenyl)-2-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole
CID 45151173

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(4-methoxyphenyl)-3,4-dihydropyrazol-3-yl]-2-methoxyphenol?
The IUPAC name of 4-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(4-methoxyphenyl)-3,4-dihydropyrazol-3-yl]-2-methoxyphenol (CID 118728575) is 4-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(4-methoxyphenyl)-3,4-dihydropyrazol-3-yl]-2-methoxyphenol.
What is the SMILES notation for 4-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(4-methoxyphenyl)-3,4-dihydropyrazol-3-yl]-2-methoxyphenol?
The canonical SMILES for 4-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(4-methoxyphenyl)-3,4-dihydropyrazol-3-yl]-2-methoxyphenol is COc1ccc(C2=NN(c3nc(-c4ccc(Cl)cc4)cs3)C(c3ccc(O)c(OC)c3)C2)cc1.
What is the InChIKey of 4-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(4-methoxyphenyl)-3,4-dihydropyrazol-3-yl]-2-methoxyphenol?
The InChIKey is GOEMCYBZCHMFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClN3O3S/c1-32-20-10-5-16(6-11-20)21-14-23(18-7-12-24(31)25(13-18)33-2)30(29-21)26-28-22(15-34-26)17-3-8-19(27)9-4-17/h3-13,15,23,31H,14H2,1-2H3.
What are the key properties of 4-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(4-methoxyphenyl)-3,4-dihydropyrazol-3-yl]-2-methoxyphenol?
4-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(4-methoxyphenyl)-3,4-dihydropyrazol-3-yl]-2-methoxyphenol has a molecular weight of 492.00 g/mol, XLogP of 6.54, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(4-methoxyphenyl)-3,4-dihydropyrazol-3-yl]-2-methoxyphenol is sourced from PubChem (CID 118728575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).