2-[4-[(5-methyl-1,3-diphenylpyrazol-4-yl)diazenyl]phenyl]sulfonylguanidine

C₂₃H₂₁N₇O₂S — CID 10527917

About 2-[4-[(5-methyl-1,3-diphenylpyrazol-4-yl)diazenyl]phenyl]sulfonylguanidine

2-[4-[(5-methyl-1,3-diphenylpyrazol-4-yl)diazenyl]phenyl]sulfonylguanidine (PubChem CID 10527917) has the molecular formula C₂₃H₂₁N₇O₂S and a molecular weight of 459.54 g/mol. Its IUPAC name is 2-[4-[(5-methyl-1,3-diphenylpyrazol-4-yl)diazenyl]phenyl]sulfonylguanidine.

Molecular Properties

• Compound Name: 2-[4-[(5-methyl-1,3-diphenylpyrazol-4-yl)diazenyl]phenyl]sulfonylguanidine
• PubChem CID: 10527917
• Molecular Formula: C₂₃H₂₁N₇O₂S
• Molecular Weight: 459.54 g/mol
• Exact Mass: 459.15
• IUPAC Name: 2-[4-[(5-methyl-1,3-diphenylpyrazol-4-yl)diazenyl]phenyl]sulfonylguanidine
• SMILES: Cc1c(/N=N/c2ccc(S(=O)(=O)N=C(N)N)cc2)c(-c2ccccc2)nn1-c1ccccc1
• InChI: InChI=1S/C23H21N7O2S/c1-16-21(27-26-18-12-14-20(15-13-18)33(31,32)29-23(24)25)22(17-8-4-2-5-9-17)28-30(16)19-10-6-3-7-11-19/h2-15H,1H3,(H4,24,25,29)/b27-26+
• InChIKey: RYELNLRRUXHAPB-CYYJNZCTSA-N
• XLogP: 4.23
• TPSA: 141.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.54
LogP ≤ 5	4.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-methyl-1,3-diphenylpyrazol-4-yl)diazenyl]phenyl]sulfonylguanidine?

The IUPAC name of 2-[4-[(5-methyl-1,3-diphenylpyrazol-4-yl)diazenyl]phenyl]sulfonylguanidine (CID 10527917) is 2-[4-[(5-methyl-1,3-diphenylpyrazol-4-yl)diazenyl]phenyl]sulfonylguanidine.

What is the SMILES notation for 2-[4-[(5-methyl-1,3-diphenylpyrazol-4-yl)diazenyl]phenyl]sulfonylguanidine?

The canonical SMILES for 2-[4-[(5-methyl-1,3-diphenylpyrazol-4-yl)diazenyl]phenyl]sulfonylguanidine is Cc1c(/N=N/c2ccc(S(=O)(=O)N=C(N)N)cc2)c(-c2ccccc2)nn1-c1ccccc1.

What is the InChIKey of 2-[4-[(5-methyl-1,3-diphenylpyrazol-4-yl)diazenyl]phenyl]sulfonylguanidine?

The InChIKey is RYELNLRRUXHAPB-CYYJNZCTSA-N. The full InChI is InChI=1S/C23H21N7O2S/c1-16-21(27-26-18-12-14-20(15-13-18)33(31,32)29-23(24)25)22(17-8-4-2-5-9-17)28-30(16)19-10-6-3-7-11-19/h2-15H,1H3,(H4,24,25,29)/b27-26+.

What are the key properties of 2-[4-[(5-methyl-1,3-diphenylpyrazol-4-yl)diazenyl]phenyl]sulfonylguanidine?

2-[4-[(5-methyl-1,3-diphenylpyrazol-4-yl)diazenyl]phenyl]sulfonylguanidine has a molecular weight of 459.54 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[(5-methyl-1,3-diphenylpyrazol-4-yl)diazenyl]phenyl]sulfonylguanidine is sourced from PubChem (CID 10527917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 10527917 — identifiers, structure, computed properties (public domain)

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