2-chloro-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide

C23H20ClN5O2 — CID 122305771

About 2-chloro-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide

2-chloro-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide (PubChem CID 122305771) has the molecular formula C23H20ClN5O2 and a molecular weight of 433.90 g/mol. Its IUPAC name is 2-chloro-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide.

Molecular Properties

• Compound Name: 2-chloro-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide
• PubChem CID: 122305771
• Molecular Formula: C23H20ClN5O2
• Molecular Weight: 433.90 g/mol
• Exact Mass: 433.13
• IUPAC Name: 2-chloro-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide
• SMILES: Cc1nn(-c2ccc(Oc3ccc(NC(=O)c4ccccc4Cl)cc3)nn2)c(C)c1C
• InChI: InChI=1S/C23H20ClN5O2/c1-14-15(2)28-29(16(14)3)21-12-13-22(27-26-21)31-18-10-8-17(9-11-18)25-23(30)19-6-4-5-7-20(19)24/h4-13H,1-3H3,(H,25,30)
• InChIKey: HGNGAKVGWQEYPL-UHFFFAOYSA-N
• XLogP: 5.29
• TPSA: 81.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	433.90
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide?

The IUPAC name of 2-chloro-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide (CID 122305771) is 2-chloro-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide.

What is the SMILES notation for 2-chloro-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide?

The canonical SMILES for 2-chloro-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide is Cc1nn(-c2ccc(Oc3ccc(NC(=O)c4ccccc4Cl)cc3)nn2)c(C)c1C.

What is the InChIKey of 2-chloro-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide?

The InChIKey is HGNGAKVGWQEYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN5O2/c1-14-15(2)28-29(16(14)3)21-12-13-22(27-26-21)31-18-10-8-17(9-11-18)25-23(30)19-6-4-5-7-20(19)24/h4-13H,1-3H3,(H,25,30).

What are the key properties of 2-chloro-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide?

2-chloro-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide has a molecular weight of 433.90 g/mol, XLogP of 5.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide is sourced from PubChem (CID 122305771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).