N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

C17H24N8O2S — CID 122290270

About N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 122290270) has the molecular formula C17H24N8O2S and a molecular weight of 404.50 g/mol. Its IUPAC name is N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

• Compound Name: N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
• PubChem CID: 122290270
• Molecular Formula: C17H24N8O2S
• Molecular Weight: 404.50 g/mol
• Exact Mass: 404.17
• IUPAC Name: N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
• SMILES: Cc1cc(C)n(-c2cc(NCCNS(=O)(=O)c3c(C)n[nH]c3C)nc(C)n2)n1
• InChI: InChI=1S/C17H24N8O2S/c1-10-8-11(2)25(24-10)16-9-15(20-14(5)21-16)18-6-7-19-28(26,27)17-12(3)22-23-13(17)4/h8-9,19H,6-7H2,1-5H3,(H,22,23)(H,18,20,21)
• InChIKey: ZNTUCRBCXWAVPA-UHFFFAOYSA-N
• XLogP: 1.32
• TPSA: 130.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.50
LogP ≤ 5	1.32
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?

The IUPAC name of N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 122290270) is N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

What is the SMILES notation for N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?

The canonical SMILES for N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is Cc1cc(C)n(-c2cc(NCCNS(=O)(=O)c3c(C)n[nH]c3C)nc(C)n2)n1.

What is the InChIKey of N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?

The InChIKey is ZNTUCRBCXWAVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N8O2S/c1-10-8-11(2)25(24-10)16-9-15(20-14(5)21-16)18-6-7-19-28(26,27)17-12(3)22-23-13(17)4/h8-9,19H,6-7H2,1-5H3,(H,22,23)(H,18,20,21).

What are the key properties of N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?

N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 404.50 g/mol, XLogP of 1.32, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 122290270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).