3-[(2,4-dichlorophenoxy)methyl]-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide

C24H23Cl2N5O2 — CID 19340300

About 3-[(2,4-dichlorophenoxy)methyl]-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide

3-[(2,4-dichlorophenoxy)methyl]-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide (PubChem CID 19340300) has the molecular formula C24H23Cl2N5O2 and a molecular weight of 484.39 g/mol. Its IUPAC name is 3-[(2,4-dichlorophenoxy)methyl]-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide.

Molecular Properties

• Compound Name: 3-[(2,4-dichlorophenoxy)methyl]-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide
• PubChem CID: 19340300
• Molecular Formula: C24H23Cl2N5O2
• Molecular Weight: 484.39 g/mol
• Exact Mass: 483.12
• IUPAC Name: 3-[(2,4-dichlorophenoxy)methyl]-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide
• SMILES: CCn1ncc(Cn2cc(NC(=O)c3cccc(COc4ccc(Cl)cc4Cl)c3)cn2)c1C
• InChI: InChI=1S/C24H23Cl2N5O2/c1-3-31-16(2)19(11-28-31)13-30-14-21(12-27-30)29-24(32)18-6-4-5-17(9-18)15-33-23-8-7-20(25)10-22(23)26/h4-12,14H,3,13,15H2,1-2H3,(H,29,32)
• InChIKey: CMTFPACJGZYDFR-UHFFFAOYSA-N
• XLogP: 5.59
• TPSA: 73.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.39
LogP ≤ 5	5.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dichlorophenoxy)methyl]-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide?

The IUPAC name of 3-[(2,4-dichlorophenoxy)methyl]-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide (CID 19340300) is 3-[(2,4-dichlorophenoxy)methyl]-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide.

What is the SMILES notation for 3-[(2,4-dichlorophenoxy)methyl]-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide?

The canonical SMILES for 3-[(2,4-dichlorophenoxy)methyl]-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide is CCn1ncc(Cn2cc(NC(=O)c3cccc(COc4ccc(Cl)cc4Cl)c3)cn2)c1C.

What is the InChIKey of 3-[(2,4-dichlorophenoxy)methyl]-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide?

The InChIKey is CMTFPACJGZYDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2N5O2/c1-3-31-16(2)19(11-28-31)13-30-14-21(12-27-30)29-24(32)18-6-4-5-17(9-18)15-33-23-8-7-20(25)10-22(23)26/h4-12,14H,3,13,15H2,1-2H3,(H,29,32).

What are the key properties of 3-[(2,4-dichlorophenoxy)methyl]-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide?

3-[(2,4-dichlorophenoxy)methyl]-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide has a molecular weight of 484.39 g/mol, XLogP of 5.59, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(2,4-dichlorophenoxy)methyl]-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 19340300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).