N-(4,5-dimethyl-1H-pyrazol-3-yl)-1H-pyrazole-4-sulfonamide

C₈H₁₁N₅O₂S — CID 115750920

About N-(4,5-dimethyl-1H-pyrazol-3-yl)-1H-pyrazole-4-sulfonamide

N-(4,5-dimethyl-1H-pyrazol-3-yl)-1H-pyrazole-4-sulfonamide (PubChem CID 115750920) has the molecular formula C₈H₁₁N₅O₂S and a molecular weight of 241.28 g/mol. Its IUPAC name is N-(4,5-dimethyl-1H-pyrazol-3-yl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

• Compound Name: N-(4,5-dimethyl-1H-pyrazol-3-yl)-1H-pyrazole-4-sulfonamide
• PubChem CID: 115750920
• Molecular Formula: C₈H₁₁N₅O₂S
• Molecular Weight: 241.28 g/mol
• Exact Mass: 241.06
• IUPAC Name: N-(4,5-dimethyl-1H-pyrazol-3-yl)-1H-pyrazole-4-sulfonamide
• SMILES: Cc1[nH]nc(NS(=O)(=O)c2cn[nH]c2)c1C
• InChI: InChI=1S/C8H11N5O2S/c1-5-6(2)11-12-8(5)13-16(14,15)7-3-9-10-4-7/h3-4H,1-2H3,(H,9,10)(H2,11,12,13)
• InChIKey: XRPOQVOQENUPTF-UHFFFAOYSA-N
• XLogP: 0.55
• TPSA: 103.53 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	241.28
LogP ≤ 5	0.55
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1H-pyrazol-3-yl)-1H-pyrazole-4-sulfonamide?

The IUPAC name of N-(4,5-dimethyl-1H-pyrazol-3-yl)-1H-pyrazole-4-sulfonamide (CID 115750920) is N-(4,5-dimethyl-1H-pyrazol-3-yl)-1H-pyrazole-4-sulfonamide.

What is the SMILES notation for N-(4,5-dimethyl-1H-pyrazol-3-yl)-1H-pyrazole-4-sulfonamide?

The canonical SMILES for N-(4,5-dimethyl-1H-pyrazol-3-yl)-1H-pyrazole-4-sulfonamide is Cc1[nH]nc(NS(=O)(=O)c2cn[nH]c2)c1C.

What is the InChIKey of N-(4,5-dimethyl-1H-pyrazol-3-yl)-1H-pyrazole-4-sulfonamide?

The InChIKey is XRPOQVOQENUPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O2S/c1-5-6(2)11-12-8(5)13-16(14,15)7-3-9-10-4-7/h3-4H,1-2H3,(H,9,10)(H2,11,12,13).

What are the key properties of N-(4,5-dimethyl-1H-pyrazol-3-yl)-1H-pyrazole-4-sulfonamide?

N-(4,5-dimethyl-1H-pyrazol-3-yl)-1H-pyrazole-4-sulfonamide has a molecular weight of 241.28 g/mol, XLogP of 0.55, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4,5-dimethyl-1H-pyrazol-3-yl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 115750920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 115750920 — identifiers, structure, computed properties (public domain)

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