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

C14H16Cl2F3N5O — CID 19523462

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

N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 19523462) has the molecular formula C14H16Cl2F3N5O and a molecular weight of 398.22 g/mol. Its IUPAC name is N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

• Compound Name: N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
• PubChem CID: 19523462
• Molecular Formula: C14H16Cl2F3N5O
• Molecular Weight: 398.22 g/mol
• Exact Mass: 397.07
• IUPAC Name: N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
• SMILES: Cc1nn(CCCNC(=O)Cn2nc(C(F)(F)F)c(Cl)c2C)cc1Cl
• InChI: InChI=1S/C14H16Cl2F3N5O/c1-8-10(15)6-23(21-8)5-3-4-20-11(25)7-24-9(2)12(16)13(22-24)14(17,18)19/h6H,3-5,7H2,1-2H3,(H,20,25)
• InChIKey: NRKZAGKEXNRUMJ-UHFFFAOYSA-N
• XLogP: 3.23
• TPSA: 64.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.22
LogP ≤ 5	3.23
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-3-methylpyrazol-1-yl)propyl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?

The IUPAC name of N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 19523462) is N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.

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

The canonical SMILES for N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is Cc1nn(CCCNC(=O)Cn2nc(C(F)(F)F)c(Cl)c2C)cc1Cl.

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

The InChIKey is NRKZAGKEXNRUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2F3N5O/c1-8-10(15)6-23(21-8)5-3-4-20-11(25)7-24-9(2)12(16)13(22-24)14(17,18)19/h6H,3-5,7H2,1-2H3,(H,20,25).

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

N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 398.22 g/mol, XLogP of 3.23, 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-3-methylpyrazol-1-yl)propyl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 19523462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).