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

C30H23N3OS — CID 136961371

IUPAC4-[3-phenyl-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-3,4-dihydropyrazol-5-yl]phenol
SMILESOc1ccc(C2=NN(c3nc(-c4ccc(-c5ccccc5)cc4)cs3)C(c3ccccc3)C2)cc1
InChIInChI=1S/C30H23N3OS/c34-26-17-15-23(16-18-26)27-19-29(25-9-5-2-6-10-25)33(32-27)30-31-28(20-35-30)24-13-11-22(12-14-24)21-7-3-1-4-8-21/h1-18,20,29,34H,19H2
InChIKeyTZVIUJBJRLXEFH-UHFFFAOYSA-N
MW473.60 g/mol
LogP7.54
Rot. Bonds5

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

4-[3-phenyl-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-3,4-dihydropyrazol-5-yl]phenol (PubChem CID 136961371) has the molecular formula C30H23N3OS and a molecular weight of 473.60 g/mol. Its IUPAC name is 4-[3-phenyl-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-3,4-dihydropyrazol-5-yl]phenol.

Molecular Properties

Compound Name4-[3-phenyl-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-3,4-dihydropyrazol-5-yl]phenol
PubChem CID136961371
Molecular FormulaC30H23N3OS
Molecular Weight473.60 g/mol
Exact Mass473.16
IUPAC Name4-[3-phenyl-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-3,4-dihydropyrazol-5-yl]phenol
SMILESOc1ccc(C2=NN(c3nc(-c4ccc(-c5ccccc5)cc4)cs3)C(c3ccccc3)C2)cc1
InChIInChI=1S/C30H23N3OS/c34-26-17-15-23(16-18-26)27-19-29(25-9-5-2-6-10-25)33(32-27)30-31-28(20-35-30)24-13-11-22(12-14-24)21-7-3-1-4-8-21/h1-18,20,29,34H,19H2
InChIKeyTZVIUJBJRLXEFH-UHFFFAOYSA-N
XLogP7.54
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.60
LogP ≤ 57.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}

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Related Compounds

2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-4-(4-iodophenyl)-1,3-thiazole
CID 2840664
4-(3,4-dimethylphenyl)-2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-1,3-thiazole;hydrobromide
CID 126478151
4-[2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-1,3-thiazol-4-yl]-N,N-diethylbenzenesulfonamide
CID 2840081
2-[2-[5-(3,4-dimethylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-yl]phenol
CID 10764872
4-[4-[2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-1,3-thiazol-4-yl]phenyl]sulfonylmorpholine;hydrobromide
CID 90484386
4-[5-(4-hydroxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]phenol
CID 166624752
2-[(3R)-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole
CID 7124956
2-[(3R)-5-methyl-3-(4-methylsulfanylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole
CID 40900302
2-[(3R)-5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole
CID 41009659
4-(4-chlorophenyl)-2-[(3S)-3-(4-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazole
CID 35412863
4-(4-fluorophenyl)-2-[(3S)-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazole
CID 40786752
2-[(3S)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]-4,6-diphenylpyrimidine
CID 92844911

Frequently Asked Questions

What is the IUPAC name of 4-[3-phenyl-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-3,4-dihydropyrazol-5-yl]phenol?
The IUPAC name of 4-[3-phenyl-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-3,4-dihydropyrazol-5-yl]phenol (CID 136961371) is 4-[3-phenyl-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-3,4-dihydropyrazol-5-yl]phenol.
What is the SMILES notation for 4-[3-phenyl-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-3,4-dihydropyrazol-5-yl]phenol?
The canonical SMILES for 4-[3-phenyl-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-3,4-dihydropyrazol-5-yl]phenol is Oc1ccc(C2=NN(c3nc(-c4ccc(-c5ccccc5)cc4)cs3)C(c3ccccc3)C2)cc1.
What is the InChIKey of 4-[3-phenyl-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-3,4-dihydropyrazol-5-yl]phenol?
The InChIKey is TZVIUJBJRLXEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23N3OS/c34-26-17-15-23(16-18-26)27-19-29(25-9-5-2-6-10-25)33(32-27)30-31-28(20-35-30)24-13-11-22(12-14-24)21-7-3-1-4-8-21/h1-18,20,29,34H,19H2.
What are the key properties of 4-[3-phenyl-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-3,4-dihydropyrazol-5-yl]phenol?
4-[3-phenyl-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-3,4-dihydropyrazol-5-yl]phenol has a molecular weight of 473.60 g/mol, XLogP of 7.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-phenyl-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-3,4-dihydropyrazol-5-yl]phenol is sourced from PubChem (CID 136961371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).