2-(4-chlorophenoxy)-N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-2-methylpropanamide

C19H17Cl3N4O2 — CID 108756054

About 2-(4-chlorophenoxy)-N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-2-methylpropanamide

2-(4-chlorophenoxy)-N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-2-methylpropanamide (PubChem CID 108756054) has the molecular formula C19H17Cl3N4O2 and a molecular weight of 439.73 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-2-methylpropanamide.

Molecular Properties

• Compound Name: 2-(4-chlorophenoxy)-N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-2-methylpropanamide
• PubChem CID: 108756054
• Molecular Formula: C19H17Cl3N4O2
• Molecular Weight: 439.73 g/mol
• Exact Mass: 438.04
• IUPAC Name: 2-(4-chlorophenoxy)-N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-2-methylpropanamide
• SMILES: Cc1cc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)n(-c2ncc(Cl)cc2Cl)n1
• InChI: InChI=1S/C19H17Cl3N4O2/c1-11-8-16(26(25-11)17-15(22)9-13(21)10-23-17)24-18(27)19(2,3)28-14-6-4-12(20)5-7-14/h4-10H,1-3H3,(H,24,27)
• InChIKey: JBJFXDNJSOXSRU-UHFFFAOYSA-N
• XLogP: 5.33
• TPSA: 69.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	439.73
LogP ≤ 5	5.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-2-methylpropanamide?

The IUPAC name of 2-(4-chlorophenoxy)-N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-2-methylpropanamide (CID 108756054) is 2-(4-chlorophenoxy)-N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-2-methylpropanamide.

What is the SMILES notation for 2-(4-chlorophenoxy)-N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-2-methylpropanamide?

The canonical SMILES for 2-(4-chlorophenoxy)-N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-2-methylpropanamide is Cc1cc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)n(-c2ncc(Cl)cc2Cl)n1.

What is the InChIKey of 2-(4-chlorophenoxy)-N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-2-methylpropanamide?

The InChIKey is JBJFXDNJSOXSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl3N4O2/c1-11-8-16(26(25-11)17-15(22)9-13(21)10-23-17)24-18(27)19(2,3)28-14-6-4-12(20)5-7-14/h4-10H,1-3H3,(H,24,27).

What are the key properties of 2-(4-chlorophenoxy)-N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-2-methylpropanamide?

2-(4-chlorophenoxy)-N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-2-methylpropanamide has a molecular weight of 439.73 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorophenoxy)-N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-2-methylpropanamide is sourced from PubChem (CID 108756054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).