2-[5-(4-methylphenyl)-3-naphthalen-1-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one

C23H19N3OS — CID 90676759

IUPAC2-[5-(4-methylphenyl)-3-naphthalen-1-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one
SMILESCc1ccc(C2=NN(C3=NC(=O)CS3)C(c3cccc4ccccc34)C2)cc1
InChIInChI=1S/C23H19N3OS/c1-15-9-11-17(12-10-15)20-13-21(26(25-20)23-24-22(27)14-28-23)19-8-4-6-16-5-2-3-7-18(16)19/h2-12,21H,13-14H2,1H3
InChIKeyTYVIXJVZGLOQNA-UHFFFAOYSA-N
MW385.49 g/mol
LogP4.93
Rot. Bonds2

About 2-[5-(4-methylphenyl)-3-naphthalen-1-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one

2-[5-(4-methylphenyl)-3-naphthalen-1-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one (PubChem CID 90676759) has the molecular formula C23H19N3OS and a molecular weight of 385.49 g/mol. Its IUPAC name is 2-[5-(4-methylphenyl)-3-naphthalen-1-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one.

Molecular Properties

Compound Name2-[5-(4-methylphenyl)-3-naphthalen-1-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one
PubChem CID90676759
Molecular FormulaC23H19N3OS
Molecular Weight385.49 g/mol
Exact Mass385.12
IUPAC Name2-[5-(4-methylphenyl)-3-naphthalen-1-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one
SMILESCc1ccc(C2=NN(C3=NC(=O)CS3)C(c3cccc4ccccc34)C2)cc1
InChIInChI=1S/C23H19N3OS/c1-15-9-11-17(12-10-15)20-13-21(26(25-20)23-24-22(27)14-28-23)19-8-4-6-16-5-2-3-7-18(16)19/h2-12,21H,13-14H2,1H3
InChIKeyTYVIXJVZGLOQNA-UHFFFAOYSA-N
XLogP4.93
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(4-Methylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one
CID 57399196
2-[5-(3,4-Dimethylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one
CID 71451497
2-[5-(3,4-Dimethylphenyl)-3-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenyl-4,5-dihydro-1,3-thiazole
CID 90656355
2-[5-(3,4-Dimethylphenyl)-3-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one
CID 90656359
2-(3-Naphthalen-2-yl-5-phenyl-3,4-dihydropyrazol-2-yl)-1,3-thiazol-4-one
CID 90656356
2-[5-(4-Methylphenyl)-3-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one
CID 90656358
2-(3-Naphthalen-1-yl-5-phenyl-3,4-dihydropyrazol-2-yl)-1,3-thiazol-4-one
CID 90676755
2-[5-(4-Chlorophenyl)-3-naphthalen-1-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one
CID 90676757
2-[5-(4-Bromophenyl)-3-naphthalen-1-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one
CID 90676758
2-[5-(4-Fluorophenyl)-3-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one
CID 90676765
2-[5-(4-Chlorophenyl)-3-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one
CID 90676766
2-[5-(4-Bromophenyl)-3-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one
CID 90676767

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methylphenyl)-3-naphthalen-1-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one?
The IUPAC name of 2-[5-(4-methylphenyl)-3-naphthalen-1-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one (CID 90676759) is 2-[5-(4-methylphenyl)-3-naphthalen-1-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one.
What is the SMILES notation for 2-[5-(4-methylphenyl)-3-naphthalen-1-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one?
The canonical SMILES for 2-[5-(4-methylphenyl)-3-naphthalen-1-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one is Cc1ccc(C2=NN(C3=NC(=O)CS3)C(c3cccc4ccccc34)C2)cc1.
What is the InChIKey of 2-[5-(4-methylphenyl)-3-naphthalen-1-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one?
The InChIKey is TYVIXJVZGLOQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3OS/c1-15-9-11-17(12-10-15)20-13-21(26(25-20)23-24-22(27)14-28-23)19-8-4-6-16-5-2-3-7-18(16)19/h2-12,21H,13-14H2,1H3.
What are the key properties of 2-[5-(4-methylphenyl)-3-naphthalen-1-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one?
2-[5-(4-methylphenyl)-3-naphthalen-1-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one has a molecular weight of 385.49 g/mol, XLogP of 4.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methylphenyl)-3-naphthalen-1-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one is sourced from PubChem (CID 90676759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).