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

C24H19N3OS — CID 155516668

IUPAC2-[5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-3,4-dihydropyrazol-3-yl]phenol
SMILESOc1ccccc1C1CC(c2ccccc2)=NN1c1nc(-c2ccccc2)cs1
InChIInChI=1S/C24H19N3OS/c28-23-14-8-7-13-19(23)22-15-20(17-9-3-1-4-10-17)26-27(22)24-25-21(16-29-24)18-11-5-2-6-12-18/h1-14,16,22,28H,15H2
InChIKeySBNQWXPTENPAGN-UHFFFAOYSA-N
MW397.50 g/mol
LogP5.87
Rot. Bonds4

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

2-[5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-3,4-dihydropyrazol-3-yl]phenol (PubChem CID 155516668) has the molecular formula C24H19N3OS and a molecular weight of 397.50 g/mol. Its IUPAC name is 2-[5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-3,4-dihydropyrazol-3-yl]phenol.

Molecular Properties

Compound Name2-[5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-3,4-dihydropyrazol-3-yl]phenol
PubChem CID155516668
Molecular FormulaC24H19N3OS
Molecular Weight397.50 g/mol
Exact Mass397.12
IUPAC Name2-[5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-3,4-dihydropyrazol-3-yl]phenol
SMILESOc1ccccc1C1CC(c2ccccc2)=NN1c1nc(-c2ccccc2)cs1
InChIInChI=1S/C24H19N3OS/c28-23-14-8-7-13-19(23)22-15-20(17-9-3-1-4-10-17)26-27(22)24-25-21(16-29-24)18-11-5-2-6-12-18/h1-14,16,22,28H,15H2
InChIKeySBNQWXPTENPAGN-UHFFFAOYSA-N
XLogP5.87
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.50
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-3,4-dihydropyrazol-3-yl]phenol?
The IUPAC name of 2-[5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-3,4-dihydropyrazol-3-yl]phenol (CID 155516668) is 2-[5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-3,4-dihydropyrazol-3-yl]phenol.
What is the SMILES notation for 2-[5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-3,4-dihydropyrazol-3-yl]phenol?
The canonical SMILES for 2-[5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-3,4-dihydropyrazol-3-yl]phenol is Oc1ccccc1C1CC(c2ccccc2)=NN1c1nc(-c2ccccc2)cs1.
What is the InChIKey of 2-[5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-3,4-dihydropyrazol-3-yl]phenol?
The InChIKey is SBNQWXPTENPAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3OS/c28-23-14-8-7-13-19(23)22-15-20(17-9-3-1-4-10-17)26-27(22)24-25-21(16-29-24)18-11-5-2-6-12-18/h1-14,16,22,28H,15H2.
What are the key properties of 2-[5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-3,4-dihydropyrazol-3-yl]phenol?
2-[5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-3,4-dihydropyrazol-3-yl]phenol has a molecular weight of 397.50 g/mol, XLogP of 5.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-3,4-dihydropyrazol-3-yl]phenol is sourced from PubChem (CID 155516668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).