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

C19H15F2N7O2 — CID 90538879

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

3-(2,4-difluorophenyl)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-1H-pyrazole-5-carboxamide (PubChem CID 90538879) has the molecular formula C19H15F2N7O2 and a molecular weight of 411.37 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: 3-(2,4-difluorophenyl)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-1H-pyrazole-5-carboxamide
• PubChem CID: 90538879
• Molecular Formula: C19H15F2N7O2
• Molecular Weight: 411.37 g/mol
• Exact Mass: 411.13
• IUPAC Name: 3-(2,4-difluorophenyl)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-1H-pyrazole-5-carboxamide
• SMILES: O=C(NCCn1nc(-n2cccn2)ccc1=O)c1cc(-c2ccc(F)cc2F)n[nH]1
• InChI: InChI=1S/C19H15F2N7O2/c20-12-2-3-13(14(21)10-12)15-11-16(25-24-15)19(30)22-7-9-28-18(29)5-4-17(26-28)27-8-1-6-23-27/h1-6,8,10-11H,7,9H2,(H,22,30)(H,24,25)
• InChIKey: XOOXRKJSANJHAU-UHFFFAOYSA-N
• XLogP: 1.53
• TPSA: 110.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.37
LogP ≤ 5	1.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 3-(2,4-difluorophenyl)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-1H-pyrazole-5-carboxamide (CID 90538879) is 3-(2,4-difluorophenyl)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-1H-pyrazole-5-carboxamide.

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

The canonical SMILES for 3-(2,4-difluorophenyl)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-1H-pyrazole-5-carboxamide is O=C(NCCn1nc(-n2cccn2)ccc1=O)c1cc(-c2ccc(F)cc2F)n[nH]1.

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

The InChIKey is XOOXRKJSANJHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N7O2/c20-12-2-3-13(14(21)10-12)15-11-16(25-24-15)19(30)22-7-9-28-18(29)5-4-17(26-28)27-8-1-6-23-27/h1-6,8,10-11H,7,9H2,(H,22,30)(H,24,25).

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

3-(2,4-difluorophenyl)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-1H-pyrazole-5-carboxamide has a molecular weight of 411.37 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,4-difluorophenyl)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 90538879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).