4-[(2,4-dichlorophenoxy)methyl]-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide

C23H21Cl2N5O2 — CID 19340094

About 4-[(2,4-dichlorophenoxy)methyl]-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide

4-[(2,4-dichlorophenoxy)methyl]-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide (PubChem CID 19340094) has the molecular formula C23H21Cl2N5O2 and a molecular weight of 470.36 g/mol. Its IUPAC name is 4-[(2,4-dichlorophenoxy)methyl]-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide.

Molecular Properties

• Compound Name: 4-[(2,4-dichlorophenoxy)methyl]-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide
• PubChem CID: 19340094
• Molecular Formula: C23H21Cl2N5O2
• Molecular Weight: 470.36 g/mol
• Exact Mass: 469.11
• IUPAC Name: 4-[(2,4-dichlorophenoxy)methyl]-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide
• SMILES: CCn1cc(Cn2cc(NC(=O)c3ccc(COc4ccc(Cl)cc4Cl)cc3)cn2)cn1
• InChI: InChI=1S/C23H21Cl2N5O2/c1-2-29-12-17(10-26-29)13-30-14-20(11-27-30)28-23(31)18-5-3-16(4-6-18)15-32-22-8-7-19(24)9-21(22)25/h3-12,14H,2,13,15H2,1H3,(H,28,31)
• InChIKey: BECDCQKGZOCZHK-UHFFFAOYSA-N
• XLogP: 5.29
• TPSA: 73.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	470.36
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 4-[(2,4-dichlorophenoxy)methyl]-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide (CID 19340094) is 4-[(2,4-dichlorophenoxy)methyl]-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide.

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

The canonical SMILES for 4-[(2,4-dichlorophenoxy)methyl]-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide is CCn1cc(Cn2cc(NC(=O)c3ccc(COc4ccc(Cl)cc4Cl)cc3)cn2)cn1.

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

The InChIKey is BECDCQKGZOCZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2N5O2/c1-2-29-12-17(10-26-29)13-30-14-20(11-27-30)28-23(31)18-5-3-16(4-6-18)15-32-22-8-7-19(24)9-21(22)25/h3-12,14H,2,13,15H2,1H3,(H,28,31).

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

4-[(2,4-dichlorophenoxy)methyl]-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide has a molecular weight of 470.36 g/mol, XLogP of 5.29, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(2,4-dichlorophenoxy)methyl]-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 19340094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).