N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-(4-chloropyrazol-1-yl)-2-methylpropanamide

C15H18Cl2F3N5O — CID 19326146

About N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-(4-chloropyrazol-1-yl)-2-methylpropanamide

N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-(4-chloropyrazol-1-yl)-2-methylpropanamide (PubChem CID 19326146) has the molecular formula C15H18Cl2F3N5O and a molecular weight of 412.24 g/mol. Its IUPAC name is N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-(4-chloropyrazol-1-yl)-2-methylpropanamide.

Molecular Properties

• Compound Name: N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-(4-chloropyrazol-1-yl)-2-methylpropanamide
• PubChem CID: 19326146
• Molecular Formula: C15H18Cl2F3N5O
• Molecular Weight: 412.24 g/mol
• Exact Mass: 411.08
• IUPAC Name: N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-(4-chloropyrazol-1-yl)-2-methylpropanamide
• SMILES: Cc1c(Cl)c(C(F)(F)F)nn1CCCNC(=O)C(C)(C)n1cc(Cl)cn1
• InChI: InChI=1S/C15H18Cl2F3N5O/c1-9-11(17)12(15(18,19)20)23-24(9)6-4-5-21-13(26)14(2,3)25-8-10(16)7-22-25/h7-8H,4-6H2,1-3H3,(H,21,26)
• InChIKey: GPLLMABAEYRUDK-UHFFFAOYSA-N
• XLogP: 3.66
• TPSA: 64.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.24
LogP ≤ 5	3.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-(4-chloropyrazol-1-yl)-2-methylpropanamide?

The IUPAC name of N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-(4-chloropyrazol-1-yl)-2-methylpropanamide (CID 19326146) is N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-(4-chloropyrazol-1-yl)-2-methylpropanamide.

What is the SMILES notation for N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-(4-chloropyrazol-1-yl)-2-methylpropanamide?

The canonical SMILES for N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-(4-chloropyrazol-1-yl)-2-methylpropanamide is Cc1c(Cl)c(C(F)(F)F)nn1CCCNC(=O)C(C)(C)n1cc(Cl)cn1.

What is the InChIKey of N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-(4-chloropyrazol-1-yl)-2-methylpropanamide?

The InChIKey is GPLLMABAEYRUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2F3N5O/c1-9-11(17)12(15(18,19)20)23-24(9)6-4-5-21-13(26)14(2,3)25-8-10(16)7-22-25/h7-8H,4-6H2,1-3H3,(H,21,26).

What are the key properties of N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-(4-chloropyrazol-1-yl)-2-methylpropanamide?

N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-(4-chloropyrazol-1-yl)-2-methylpropanamide has a molecular weight of 412.24 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-(4-chloropyrazol-1-yl)-2-methylpropanamide is sourced from PubChem (CID 19326146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).