5-[2-(dimethylamino)ethenyl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1,2-oxazole-4-sulfonamide

C19H23N5O4S — CID 4521233

About 5-[2-(dimethylamino)ethenyl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1,2-oxazole-4-sulfonamide

5-[2-(dimethylamino)ethenyl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1,2-oxazole-4-sulfonamide (PubChem CID 4521233) has the molecular formula C19H23N5O4S and a molecular weight of 417.49 g/mol. Its IUPAC name is 5-[2-(dimethylamino)ethenyl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

• Compound Name: 5-[2-(dimethylamino)ethenyl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1,2-oxazole-4-sulfonamide
• PubChem CID: 4521233
• Molecular Formula: C19H23N5O4S
• Molecular Weight: 417.49 g/mol
• Exact Mass: 417.15
• IUPAC Name: 5-[2-(dimethylamino)ethenyl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1,2-oxazole-4-sulfonamide
• SMILES: Cc1noc(C=CN(C)C)c1S(=O)(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O
• InChI: InChI=1S/C19H23N5O4S/c1-13-18(16(28-20-13)11-12-22(3)4)29(26,27)21-17-14(2)23(5)24(19(17)25)15-9-7-6-8-10-15/h6-12,21H,1-5H3
• InChIKey: GAFQHHRJQAUGEG-UHFFFAOYSA-N
• XLogP: 2.11
• TPSA: 102.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.49
LogP ≤ 5	2.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)ethenyl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1,2-oxazole-4-sulfonamide?

The IUPAC name of 5-[2-(dimethylamino)ethenyl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1,2-oxazole-4-sulfonamide (CID 4521233) is 5-[2-(dimethylamino)ethenyl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1,2-oxazole-4-sulfonamide.

What is the SMILES notation for 5-[2-(dimethylamino)ethenyl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1,2-oxazole-4-sulfonamide?

The canonical SMILES for 5-[2-(dimethylamino)ethenyl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1,2-oxazole-4-sulfonamide is Cc1noc(C=CN(C)C)c1S(=O)(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O.

What is the InChIKey of 5-[2-(dimethylamino)ethenyl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1,2-oxazole-4-sulfonamide?

The InChIKey is GAFQHHRJQAUGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O4S/c1-13-18(16(28-20-13)11-12-22(3)4)29(26,27)21-17-14(2)23(5)24(19(17)25)15-9-7-6-8-10-15/h6-12,21H,1-5H3.

What are the key properties of 5-[2-(dimethylamino)ethenyl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1,2-oxazole-4-sulfonamide?

5-[2-(dimethylamino)ethenyl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1,2-oxazole-4-sulfonamide has a molecular weight of 417.49 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(dimethylamino)ethenyl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 4521233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).