4-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-3-yl]phenol

C26H22ClN3OS — CID 46936083

IUPAC4-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-3-yl]phenol
SMILESCc1ccc(C2=NN(c3nc(-c4ccc(Cl)cc4)cs3)C(c3ccc(O)cc3)C2)cc1C
InChIInChI=1S/C26H22ClN3OS/c1-16-3-4-20(13-17(16)2)23-14-25(19-7-11-22(31)12-8-19)30(29-23)26-28-24(15-32-26)18-5-9-21(27)10-6-18/h3-13,15,25,31H,14H2,1-2H3
InChIKeyFOLBKSQFUPUWKJ-UHFFFAOYSA-N
MW460.00 g/mol
LogP7.14
Rot. Bonds4

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

4-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-3-yl]phenol (PubChem CID 46936083) has the molecular formula C26H22ClN3OS and a molecular weight of 460.00 g/mol. Its IUPAC name is 4-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-3-yl]phenol.

Molecular Properties

Compound Name4-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-3-yl]phenol
PubChem CID46936083
Molecular FormulaC26H22ClN3OS
Molecular Weight460.00 g/mol
Exact Mass459.12
IUPAC Name4-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-3-yl]phenol
SMILESCc1ccc(C2=NN(c3nc(-c4ccc(Cl)cc4)cs3)C(c3ccc(O)cc3)C2)cc1C
InChIInChI=1S/C26H22ClN3OS/c1-16-3-4-20(13-17(16)2)23-14-25(19-7-11-22(31)12-8-19)30(29-23)26-28-24(15-32-26)18-5-9-21(27)10-6-18/h3-13,15,25,31H,14H2,1-2H3
InChIKeyFOLBKSQFUPUWKJ-UHFFFAOYSA-N
XLogP7.14
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.00
LogP ≤ 57.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-Chlorophenyl)-2-[5-(3,4-dimethylphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole
CID 46936082
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
(E)-2,6-Di-t-butyl-4-((2-(4-(4-Chlorophenyl)thiazole-2-yl)-hydrazono)methyl)-phenol (8)
CID 136661659
2-[3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-(4-chlorophenyl)-1,3-thiazole
CID 2839887
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
2-[3-(4-Chlorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole
CID 45151176
4-(4-Chlorophenyl)-2-[3-(4-chlorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole
CID 45151186
4-[5-(4-Methoxyphenyl)-2-(4-phenyl-1,3-thiazol-2-yl)-3,4-dihydropyrazol-3-yl]phenol
CID 56682199
4-[2-[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]-5-(4-methoxyphenyl)-3,4-dihydropyrazol-3-yl]phenol
CID 56682201

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-3-yl]phenol?
The IUPAC name of 4-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-3-yl]phenol (CID 46936083) is 4-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-3-yl]phenol.
What is the SMILES notation for 4-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-3-yl]phenol?
The canonical SMILES for 4-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-3-yl]phenol is Cc1ccc(C2=NN(c3nc(-c4ccc(Cl)cc4)cs3)C(c3ccc(O)cc3)C2)cc1C.
What is the InChIKey of 4-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-3-yl]phenol?
The InChIKey is FOLBKSQFUPUWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClN3OS/c1-16-3-4-20(13-17(16)2)23-14-25(19-7-11-22(31)12-8-19)30(29-23)26-28-24(15-32-26)18-5-9-21(27)10-6-18/h3-13,15,25,31H,14H2,1-2H3.
What are the key properties of 4-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-3-yl]phenol?
4-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-3-yl]phenol has a molecular weight of 460.00 g/mol, XLogP of 7.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-3-yl]phenol is sourced from PubChem (CID 46936083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).