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

C25H20ClN3O2S — CID 56682201

IUPAC4-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(4-methoxyphenyl)-3,4-dihydropyrazol-3-yl]phenol
SMILESCOc1ccc(C2=NN(c3nc(-c4ccc(Cl)cc4)cs3)C(c3ccc(O)cc3)C2)cc1
InChIInChI=1S/C25H20ClN3O2S/c1-31-21-12-6-16(7-13-21)22-14-24(18-4-10-20(30)11-5-18)29(28-22)25-27-23(15-32-25)17-2-8-19(26)9-3-17/h2-13,15,24,30H,14H2,1H3
InChIKeyVKJFRXSEHHHHFI-UHFFFAOYSA-N
MW461.97 g/mol
LogP6.53
Rot. Bonds5

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

4-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(4-methoxyphenyl)-3,4-dihydropyrazol-3-yl]phenol (PubChem CID 56682201) has the molecular formula C25H20ClN3O2S and a molecular weight of 461.97 g/mol. Its IUPAC name is 4-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(4-methoxyphenyl)-3,4-dihydropyrazol-3-yl]phenol.

Molecular Properties

Compound Name4-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(4-methoxyphenyl)-3,4-dihydropyrazol-3-yl]phenol
PubChem CID56682201
Molecular FormulaC25H20ClN3O2S
Molecular Weight461.97 g/mol
Exact Mass461.10
IUPAC Name4-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(4-methoxyphenyl)-3,4-dihydropyrazol-3-yl]phenol
SMILESCOc1ccc(C2=NN(c3nc(-c4ccc(Cl)cc4)cs3)C(c3ccc(O)cc3)C2)cc1
InChIInChI=1S/C25H20ClN3O2S/c1-31-21-12-6-16(7-13-21)22-14-24(18-4-10-20(30)11-5-18)29(28-22)25-27-23(15-32-25)17-2-8-19(26)9-3-17/h2-13,15,24,30H,14H2,1H3
InChIKeyVKJFRXSEHHHHFI-UHFFFAOYSA-N
XLogP6.53
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.97
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-(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
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-Fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-(4-methoxyphenyl)-1,3-thiazole
CID 45150992
2-[5-(4-Methoxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole
CID 45151149

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]phenol?
The IUPAC name of 4-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(4-methoxyphenyl)-3,4-dihydropyrazol-3-yl]phenol (CID 56682201) is 4-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(4-methoxyphenyl)-3,4-dihydropyrazol-3-yl]phenol.
What is the SMILES notation for 4-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(4-methoxyphenyl)-3,4-dihydropyrazol-3-yl]phenol?
The canonical SMILES for 4-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(4-methoxyphenyl)-3,4-dihydropyrazol-3-yl]phenol is COc1ccc(C2=NN(c3nc(-c4ccc(Cl)cc4)cs3)C(c3ccc(O)cc3)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]phenol?
The InChIKey is VKJFRXSEHHHHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN3O2S/c1-31-21-12-6-16(7-13-21)22-14-24(18-4-10-20(30)11-5-18)29(28-22)25-27-23(15-32-25)17-2-8-19(26)9-3-17/h2-13,15,24,30H,14H2,1H3.
What are the key properties of 4-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(4-methoxyphenyl)-3,4-dihydropyrazol-3-yl]phenol?
4-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(4-methoxyphenyl)-3,4-dihydropyrazol-3-yl]phenol has a molecular weight of 461.97 g/mol, XLogP of 6.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 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]phenol is sourced from PubChem (CID 56682201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).