2-[6-(3-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)pyridazin-3-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide

C18H19N5OS2 — CID 50844410

About 2-[6-(3-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)pyridazin-3-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide

2-[6-(3-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)pyridazin-3-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 50844410) has the molecular formula C18H19N5OS2 and a molecular weight of 385.52 g/mol. Its IUPAC name is 2-[6-(3-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)pyridazin-3-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

• Compound Name: 2-[6-(3-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)pyridazin-3-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide
• PubChem CID: 50844410
• Molecular Formula: C18H19N5OS2
• Molecular Weight: 385.52 g/mol
• Exact Mass: 385.10
• IUPAC Name: 2-[6-(3-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)pyridazin-3-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide
• SMILES: Cc1c2c(nn1-c1ccc(SCC(=O)NCc3cccs3)nn1)CCC2
• InChI: InChI=1S/C18H19N5OS2/c1-12-14-5-2-6-15(14)22-23(12)16-7-8-18(21-20-16)26-11-17(24)19-10-13-4-3-9-25-13/h3-4,7-9H,2,5-6,10-11H2,1H3,(H,19,24)
• InChIKey: QZINECDBCXSTHJ-UHFFFAOYSA-N
• XLogP: 2.93
• TPSA: 72.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.52
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)pyridazin-3-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide?

The IUPAC name of 2-[6-(3-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)pyridazin-3-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide (CID 50844410) is 2-[6-(3-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)pyridazin-3-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide.

What is the SMILES notation for 2-[6-(3-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)pyridazin-3-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide?

The canonical SMILES for 2-[6-(3-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)pyridazin-3-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide is Cc1c2c(nn1-c1ccc(SCC(=O)NCc3cccs3)nn1)CCC2.

What is the InChIKey of 2-[6-(3-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)pyridazin-3-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide?

The InChIKey is QZINECDBCXSTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5OS2/c1-12-14-5-2-6-15(14)22-23(12)16-7-8-18(21-20-16)26-11-17(24)19-10-13-4-3-9-25-13/h3-4,7-9H,2,5-6,10-11H2,1H3,(H,19,24).

What are the key properties of 2-[6-(3-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)pyridazin-3-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide?

2-[6-(3-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)pyridazin-3-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 385.52 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-(3-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)pyridazin-3-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 50844410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).