3-(2-methoxyphenyl)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-1H-pyrazole-5-carboxamide

C21H19N5O3S — CID 121034572

About 3-(2-methoxyphenyl)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-1H-pyrazole-5-carboxamide

3-(2-methoxyphenyl)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-1H-pyrazole-5-carboxamide (PubChem CID 121034572) has the molecular formula C21H19N5O3S and a molecular weight of 421.48 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: 3-(2-methoxyphenyl)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-1H-pyrazole-5-carboxamide
• PubChem CID: 121034572
• Molecular Formula: C21H19N5O3S
• Molecular Weight: 421.48 g/mol
• Exact Mass: 421.12
• IUPAC Name: 3-(2-methoxyphenyl)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-1H-pyrazole-5-carboxamide
• SMILES: COc1ccccc1-c1cc(C(=O)NCCn2nc(-c3cccs3)ccc2=O)[nH]n1
• InChI: InChI=1S/C21H19N5O3S/c1-29-18-6-3-2-5-14(18)16-13-17(24-23-16)21(28)22-10-11-26-20(27)9-8-15(25-26)19-7-4-12-30-19/h2-9,12-13H,10-11H2,1H3,(H,22,28)(H,23,24)
• InChIKey: DEGSCEWCFAADTR-UHFFFAOYSA-N
• XLogP: 2.80
• TPSA: 101.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.48
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-1H-pyrazole-5-carboxamide?

The IUPAC name of 3-(2-methoxyphenyl)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-1H-pyrazole-5-carboxamide (CID 121034572) is 3-(2-methoxyphenyl)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-1H-pyrazole-5-carboxamide.

What is the SMILES notation for 3-(2-methoxyphenyl)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-1H-pyrazole-5-carboxamide?

The canonical SMILES for 3-(2-methoxyphenyl)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-1H-pyrazole-5-carboxamide is COc1ccccc1-c1cc(C(=O)NCCn2nc(-c3cccs3)ccc2=O)[nH]n1.

What is the InChIKey of 3-(2-methoxyphenyl)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-1H-pyrazole-5-carboxamide?

The InChIKey is DEGSCEWCFAADTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3S/c1-29-18-6-3-2-5-14(18)16-13-17(24-23-16)21(28)22-10-11-26-20(27)9-8-15(25-26)19-7-4-12-30-19/h2-9,12-13H,10-11H2,1H3,(H,22,28)(H,23,24).

What are the key properties of 3-(2-methoxyphenyl)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-1H-pyrazole-5-carboxamide?

3-(2-methoxyphenyl)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-1H-pyrazole-5-carboxamide has a molecular weight of 421.48 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-methoxyphenyl)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 121034572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).