4-[(cyclopropylamino)methyl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-5-sulfonamide

C11H17N7O2S — CID 106016185

About 4-[(cyclopropylamino)methyl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-5-sulfonamide

4-[(cyclopropylamino)methyl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-5-sulfonamide (PubChem CID 106016185) has the molecular formula C11H17N7O2S and a molecular weight of 311.37 g/mol. Its IUPAC name is 4-[(cyclopropylamino)methyl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-5-sulfonamide.

Molecular Properties

• Compound Name: 4-[(cyclopropylamino)methyl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-5-sulfonamide
• PubChem CID: 106016185
• Molecular Formula: C11H17N7O2S
• Molecular Weight: 311.37 g/mol
• Exact Mass: 311.12
• IUPAC Name: 4-[(cyclopropylamino)methyl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-5-sulfonamide
• SMILES: Cn1cnnc1CNS(=O)(=O)c1[nH]ncc1CNC1CC1
• InChI: InChI=1S/C11H17N7O2S/c1-18-7-14-16-10(18)6-15-21(19,20)11-8(5-13-17-11)4-12-9-2-3-9/h5,7,9,12,15H,2-4,6H2,1H3,(H,13,17)
• InChIKey: DTLANGCZIDFFEH-UHFFFAOYSA-N
• XLogP: -0.73
• TPSA: 117.59 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	311.37
LogP ≤ 5	-0.73
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[(cyclopropylamino)methyl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-5-sulfonamide?

The IUPAC name of 4-[(cyclopropylamino)methyl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-5-sulfonamide (CID 106016185) is 4-[(cyclopropylamino)methyl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-5-sulfonamide.

What is the SMILES notation for 4-[(cyclopropylamino)methyl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-5-sulfonamide?

The canonical SMILES for 4-[(cyclopropylamino)methyl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-5-sulfonamide is Cn1cnnc1CNS(=O)(=O)c1[nH]ncc1CNC1CC1.

What is the InChIKey of 4-[(cyclopropylamino)methyl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-5-sulfonamide?

The InChIKey is DTLANGCZIDFFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7O2S/c1-18-7-14-16-10(18)6-15-21(19,20)11-8(5-13-17-11)4-12-9-2-3-9/h5,7,9,12,15H,2-4,6H2,1H3,(H,13,17).

What are the key properties of 4-[(cyclopropylamino)methyl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-5-sulfonamide?

4-[(cyclopropylamino)methyl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-5-sulfonamide has a molecular weight of 311.37 g/mol, XLogP of -0.73, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(cyclopropylamino)methyl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 106016185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).