4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-methyl-3-pyrazol-1-ylpropyl)piperazine-1-carboxamide

C18H22ClF3N6O — CID 60561951

About 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-methyl-3-pyrazol-1-ylpropyl)piperazine-1-carboxamide

4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-methyl-3-pyrazol-1-ylpropyl)piperazine-1-carboxamide (PubChem CID 60561951) has the molecular formula C18H22ClF3N6O and a molecular weight of 430.86 g/mol. Its IUPAC name is 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-methyl-3-pyrazol-1-ylpropyl)piperazine-1-carboxamide.

Molecular Properties

• Compound Name: 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-methyl-3-pyrazol-1-ylpropyl)piperazine-1-carboxamide
• PubChem CID: 60561951
• Molecular Formula: C18H22ClF3N6O
• Molecular Weight: 430.86 g/mol
• Exact Mass: 430.15
• IUPAC Name: 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-methyl-3-pyrazol-1-ylpropyl)piperazine-1-carboxamide
• SMILES: CC(CNC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)Cn1cccn1
• InChI: InChI=1S/C18H22ClF3N6O/c1-13(12-28-4-2-3-25-28)10-24-17(29)27-7-5-26(6-8-27)16-15(19)9-14(11-23-16)18(20,21)22/h2-4,9,11,13H,5-8,10,12H2,1H3,(H,24,29)
• InChIKey: IPCCZSCKKJQETK-UHFFFAOYSA-N
• XLogP: 3.12
• TPSA: 66.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.86
LogP ≤ 5	3.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-methyl-3-pyrazol-1-ylpropyl)piperazine-1-carboxamide?

The IUPAC name of 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-methyl-3-pyrazol-1-ylpropyl)piperazine-1-carboxamide (CID 60561951) is 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-methyl-3-pyrazol-1-ylpropyl)piperazine-1-carboxamide.

What is the SMILES notation for 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-methyl-3-pyrazol-1-ylpropyl)piperazine-1-carboxamide?

The canonical SMILES for 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-methyl-3-pyrazol-1-ylpropyl)piperazine-1-carboxamide is CC(CNC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)Cn1cccn1.

What is the InChIKey of 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-methyl-3-pyrazol-1-ylpropyl)piperazine-1-carboxamide?

The InChIKey is IPCCZSCKKJQETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClF3N6O/c1-13(12-28-4-2-3-25-28)10-24-17(29)27-7-5-26(6-8-27)16-15(19)9-14(11-23-16)18(20,21)22/h2-4,9,11,13H,5-8,10,12H2,1H3,(H,24,29).

What are the key properties of 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-methyl-3-pyrazol-1-ylpropyl)piperazine-1-carboxamide?

4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-methyl-3-pyrazol-1-ylpropyl)piperazine-1-carboxamide has a molecular weight of 430.86 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-methyl-3-pyrazol-1-ylpropyl)piperazine-1-carboxamide is sourced from PubChem (CID 60561951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).