3,5-dimethyl-N-[2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1H-pyrazole-4-sulfonamide

C16H19N5O3S — CID 110321268

About 3,5-dimethyl-N-[2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1H-pyrazole-4-sulfonamide

3,5-dimethyl-N-[2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1H-pyrazole-4-sulfonamide (PubChem CID 110321268) has the molecular formula C16H19N5O3S and a molecular weight of 361.43 g/mol. Its IUPAC name is 3,5-dimethyl-N-[2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

• Compound Name: 3,5-dimethyl-N-[2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1H-pyrazole-4-sulfonamide
• PubChem CID: 110321268
• Molecular Formula: C16H19N5O3S
• Molecular Weight: 361.43 g/mol
• Exact Mass: 361.12
• IUPAC Name: 3,5-dimethyl-N-[2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1H-pyrazole-4-sulfonamide
• SMILES: Cc1ccccc1-c1nnc(CCNS(=O)(=O)c2c(C)n[nH]c2C)o1
• InChI: InChI=1S/C16H19N5O3S/c1-10-6-4-5-7-13(10)16-21-20-14(24-16)8-9-17-25(22,23)15-11(2)18-19-12(15)3/h4-7,17H,8-9H2,1-3H3,(H,18,19)
• InChIKey: UJTPKBJDKANTQF-UHFFFAOYSA-N
• XLogP: 1.91
• TPSA: 113.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	361.43
LogP ≤ 5	1.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1H-pyrazole-4-sulfonamide?

The IUPAC name of 3,5-dimethyl-N-[2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1H-pyrazole-4-sulfonamide (CID 110321268) is 3,5-dimethyl-N-[2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1H-pyrazole-4-sulfonamide.

What is the SMILES notation for 3,5-dimethyl-N-[2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1H-pyrazole-4-sulfonamide?

The canonical SMILES for 3,5-dimethyl-N-[2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1H-pyrazole-4-sulfonamide is Cc1ccccc1-c1nnc(CCNS(=O)(=O)c2c(C)n[nH]c2C)o1.

What is the InChIKey of 3,5-dimethyl-N-[2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1H-pyrazole-4-sulfonamide?

The InChIKey is UJTPKBJDKANTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3S/c1-10-6-4-5-7-13(10)16-21-20-14(24-16)8-9-17-25(22,23)15-11(2)18-19-12(15)3/h4-7,17H,8-9H2,1-3H3,(H,18,19).

What are the key properties of 3,5-dimethyl-N-[2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1H-pyrazole-4-sulfonamide?

3,5-dimethyl-N-[2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 361.43 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dimethyl-N-[2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 110321268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).