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

C26H23N3OS — CID 10764872

IUPAC2-[2-[5-(3,4-dimethylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-yl]phenol
SMILESCc1ccc(C2=NN(c3nc(-c4ccccc4O)cs3)C(c3ccccc3)C2)cc1C
InChIInChI=1S/C26H23N3OS/c1-17-12-13-20(14-18(17)2)22-15-24(19-8-4-3-5-9-19)29(28-22)26-27-23(16-31-26)21-10-6-7-11-25(21)30/h3-14,16,24,30H,15H2,1-2H3
InChIKeyJTNOJGBOATVIJX-UHFFFAOYSA-N
MW425.56 g/mol
LogP6.49
Rot. Bonds4

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

2-[2-[5-(3,4-dimethylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-yl]phenol (PubChem CID 10764872) has the molecular formula C26H23N3OS and a molecular weight of 425.56 g/mol. Its IUPAC name is 2-[2-[5-(3,4-dimethylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-yl]phenol.

Molecular Properties

Compound Name2-[2-[5-(3,4-dimethylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-yl]phenol
PubChem CID10764872
Molecular FormulaC26H23N3OS
Molecular Weight425.56 g/mol
Exact Mass425.16
IUPAC Name2-[2-[5-(3,4-dimethylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-yl]phenol
SMILESCc1ccc(C2=NN(c3nc(-c4ccccc4O)cs3)C(c3ccccc3)C2)cc1C
InChIInChI=1S/C26H23N3OS/c1-17-12-13-20(14-18(17)2)22-15-24(19-8-4-3-5-9-19)29(28-22)26-27-23(16-31-26)21-10-6-7-11-25(21)30/h3-14,16,24,30H,15H2,1-2H3
InChIKeyJTNOJGBOATVIJX-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

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Related Compounds

4-(3,4-dimethylphenyl)-2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-1,3-thiazole;hydrobromide
CID 126478151
4-(4-chlorophenyl)-2-[5-(3,4-dimethylphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole
CID 46936081
4-[3-phenyl-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-3,4-dihydropyrazol-5-yl]phenol
CID 136961371
2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-4-(4-iodophenyl)-1,3-thiazole
CID 2840664
2-[(3R)-5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole
CID 41009659
2-[(3R)-5-(2,5-dimethylphenyl)-3-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]-4-(4-phenylphenyl)-1,3-thiazole
CID 98236272
4-(2,5-dimethoxyphenyl)-2-(3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl)-1,3-thiazole
CID 45151510
2-[4-[(3S)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]-6-methylpyrimidin-2-yl]phenol
CID 135849006
3-[2-[5-(4-chlorophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-yl]chromen-2-one
CID 172880280
4-[2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-1,3-thiazol-4-yl]-N,N-diethylbenzenesulfonamide
CID 2840081
4-(2,5-dimethylphenyl)-2-[(3R)-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazole
CID 25287487
2-[(3R)-2,3-diphenyl-3,4-dihydropyrazol-5-yl]phenol
CID 135772224

Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-(3,4-dimethylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-yl]phenol?
The IUPAC name of 2-[2-[5-(3,4-dimethylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-yl]phenol (CID 10764872) is 2-[2-[5-(3,4-dimethylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-yl]phenol.
What is the SMILES notation for 2-[2-[5-(3,4-dimethylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-yl]phenol?
The canonical SMILES for 2-[2-[5-(3,4-dimethylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-yl]phenol is Cc1ccc(C2=NN(c3nc(-c4ccccc4O)cs3)C(c3ccccc3)C2)cc1C.
What is the InChIKey of 2-[2-[5-(3,4-dimethylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-yl]phenol?
The InChIKey is JTNOJGBOATVIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3OS/c1-17-12-13-20(14-18(17)2)22-15-24(19-8-4-3-5-9-19)29(28-22)26-27-23(16-31-26)21-10-6-7-11-25(21)30/h3-14,16,24,30H,15H2,1-2H3.
What are the key properties of 2-[2-[5-(3,4-dimethylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-yl]phenol?
2-[2-[5-(3,4-dimethylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-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 2-[2-[5-(3,4-dimethylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-yl]phenol is sourced from PubChem (CID 10764872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).