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

C26H23N3OS — CID 46936028

IUPAC4-[5-(3,4-dimethylphenyl)-2-(4-phenyl-1,3-thiazol-2-yl)-3,4-dihydropyrazol-3-yl]phenol
SMILESCc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)C(c3ccc(O)cc3)C2)cc1C
InChIInChI=1S/C26H23N3OS/c1-17-8-9-21(14-18(17)2)23-15-25(20-10-12-22(30)13-11-20)29(28-23)26-27-24(16-31-26)19-6-4-3-5-7-19/h3-14,16,25,30H,15H2,1-2H3
InChIKeyFJWFYMMJHWZSLX-UHFFFAOYSA-N
MW425.56 g/mol
LogP6.49
Rot. Bonds4

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

4-[5-(3,4-dimethylphenyl)-2-(4-phenyl-1,3-thiazol-2-yl)-3,4-dihydropyrazol-3-yl]phenol (PubChem CID 46936028) has the molecular formula C26H23N3OS and a molecular weight of 425.56 g/mol. Its IUPAC name is 4-[5-(3,4-dimethylphenyl)-2-(4-phenyl-1,3-thiazol-2-yl)-3,4-dihydropyrazol-3-yl]phenol.

Molecular Properties

Compound Name4-[5-(3,4-dimethylphenyl)-2-(4-phenyl-1,3-thiazol-2-yl)-3,4-dihydropyrazol-3-yl]phenol
PubChem CID46936028
Molecular FormulaC26H23N3OS
Molecular Weight425.56 g/mol
Exact Mass425.16
IUPAC Name4-[5-(3,4-dimethylphenyl)-2-(4-phenyl-1,3-thiazol-2-yl)-3,4-dihydropyrazol-3-yl]phenol
SMILESCc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)C(c3ccc(O)cc3)C2)cc1C
InChIInChI=1S/C26H23N3OS/c1-17-8-9-21(14-18(17)2)23-15-25(20-10-12-22(30)13-11-20)29(28-23)26-27-24(16-31-26)19-6-4-3-5-7-19/h3-14,16,25,30H,15H2,1-2H3
InChIKeyFJWFYMMJHWZSLX-UHFFFAOYSA-N
XLogP6.49
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.56
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[5-(3,4-dimethylphenyl)-2-(4-phenyl-1,3-thiazol-2-yl)-3,4-dihydropyrazol-3-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-3-yl]phenol
CID 46936083
(E)-2-(2-(2-(Pyren-1-ylmethylene)hydrazinyl)thiazol-4-yl)phenol (13)
CID 126842668
4-(4-Methoxyphenyl)-2-[5-(4-methylphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazole
CID 45150869
4-(4-Chlorophenyl)-2-[5-(3,4-dimethylphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole
CID 46936082
2-[5-(3,4-Dimethylphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole
CID 46936027
2-[2-[4-(3-Bromophenyl)-1,3-thiazol-2-yl]-5-phenyl-3,4-dihydropyrazol-3-yl]phenol
CID 155563852
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-[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
2-[3-(4-Fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole
CID 45151163
2-[3,5-Bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole
CID 45151203

Frequently Asked Questions

What is the IUPAC name of 4-[5-(3,4-dimethylphenyl)-2-(4-phenyl-1,3-thiazol-2-yl)-3,4-dihydropyrazol-3-yl]phenol?
The IUPAC name of 4-[5-(3,4-dimethylphenyl)-2-(4-phenyl-1,3-thiazol-2-yl)-3,4-dihydropyrazol-3-yl]phenol (CID 46936028) is 4-[5-(3,4-dimethylphenyl)-2-(4-phenyl-1,3-thiazol-2-yl)-3,4-dihydropyrazol-3-yl]phenol.
What is the SMILES notation for 4-[5-(3,4-dimethylphenyl)-2-(4-phenyl-1,3-thiazol-2-yl)-3,4-dihydropyrazol-3-yl]phenol?
The canonical SMILES for 4-[5-(3,4-dimethylphenyl)-2-(4-phenyl-1,3-thiazol-2-yl)-3,4-dihydropyrazol-3-yl]phenol is Cc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)C(c3ccc(O)cc3)C2)cc1C.
What is the InChIKey of 4-[5-(3,4-dimethylphenyl)-2-(4-phenyl-1,3-thiazol-2-yl)-3,4-dihydropyrazol-3-yl]phenol?
The InChIKey is FJWFYMMJHWZSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3OS/c1-17-8-9-21(14-18(17)2)23-15-25(20-10-12-22(30)13-11-20)29(28-23)26-27-24(16-31-26)19-6-4-3-5-7-19/h3-14,16,25,30H,15H2,1-2H3.
What are the key properties of 4-[5-(3,4-dimethylphenyl)-2-(4-phenyl-1,3-thiazol-2-yl)-3,4-dihydropyrazol-3-yl]phenol?
4-[5-(3,4-dimethylphenyl)-2-(4-phenyl-1,3-thiazol-2-yl)-3,4-dihydropyrazol-3-yl]phenol has a molecular weight of 425.56 g/mol, XLogP of 6.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3,4-dimethylphenyl)-2-(4-phenyl-1,3-thiazol-2-yl)-3,4-dihydropyrazol-3-yl]phenol is sourced from PubChem (CID 46936028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).