3,5-dimethyl-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-1H-pyrazole-4-sulfonamide

C14H17N7O3S — CID 71790899

About 3,5-dimethyl-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-1H-pyrazole-4-sulfonamide

3,5-dimethyl-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-1H-pyrazole-4-sulfonamide (PubChem CID 71790899) has the molecular formula C14H17N7O3S and a molecular weight of 363.40 g/mol. Its IUPAC name is 3,5-dimethyl-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

• Compound Name: 3,5-dimethyl-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-1H-pyrazole-4-sulfonamide
• PubChem CID: 71790899
• Molecular Formula: C14H17N7O3S
• Molecular Weight: 363.40 g/mol
• Exact Mass: 363.11
• IUPAC Name: 3,5-dimethyl-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-1H-pyrazole-4-sulfonamide
• SMILES: Cc1n[nH]c(C)c1S(=O)(=O)NCCn1nc(-n2cccn2)ccc1=O
• InChI: InChI=1S/C14H17N7O3S/c1-10-14(11(2)18-17-10)25(23,24)16-7-9-21-13(22)5-4-12(19-21)20-8-3-6-15-20/h3-6,8,16H,7,9H2,1-2H3,(H,17,18)
• InChIKey: MOMYDROJZXVBCT-UHFFFAOYSA-N
• XLogP: -0.25
• TPSA: 127.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.40
LogP ≤ 5	-0.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 3,5-dimethyl-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-1H-pyrazole-4-sulfonamide (CID 71790899) is 3,5-dimethyl-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-1H-pyrazole-4-sulfonamide.

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

The canonical SMILES for 3,5-dimethyl-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)NCCn1nc(-n2cccn2)ccc1=O.

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

The InChIKey is MOMYDROJZXVBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7O3S/c1-10-14(11(2)18-17-10)25(23,24)16-7-9-21-13(22)5-4-12(19-21)20-8-3-6-15-20/h3-6,8,16H,7,9H2,1-2H3,(H,17,18).

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

3,5-dimethyl-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 363.40 g/mol, XLogP of -0.25, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dimethyl-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 71790899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).