2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]acetamide

C14H17BrClF2N5O — CID 19520117

About 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]acetamide

2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]acetamide (PubChem CID 19520117) has the molecular formula C14H17BrClF2N5O and a molecular weight of 424.68 g/mol. Its IUPAC name is 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]acetamide.

Molecular Properties

• Compound Name: 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]acetamide
• PubChem CID: 19520117
• Molecular Formula: C14H17BrClF2N5O
• Molecular Weight: 424.68 g/mol
• Exact Mass: 423.03
• IUPAC Name: 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]acetamide
• SMILES: Cc1nn(CCCNC(=O)Cn2nc(C(F)F)c(Br)c2C)cc1Cl
• InChI: InChI=1S/C14H17BrClF2N5O/c1-8-10(16)6-22(20-8)5-3-4-19-11(24)7-23-9(2)12(15)13(21-23)14(17)18/h6,14H,3-5,7H2,1-2H3,(H,19,24)
• InChIKey: GMQKTHCRKJQPNJ-UHFFFAOYSA-N
• XLogP: 3.26
• TPSA: 64.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.68
LogP ≤ 5	3.26
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 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]acetamide?

The IUPAC name of 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]acetamide (CID 19520117) is 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]acetamide.

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

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

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

The InChIKey is GMQKTHCRKJQPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClF2N5O/c1-8-10(16)6-22(20-8)5-3-4-19-11(24)7-23-9(2)12(15)13(21-23)14(17)18/h6,14H,3-5,7H2,1-2H3,(H,19,24).

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

2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]acetamide has a molecular weight of 424.68 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]acetamide is sourced from PubChem (CID 19520117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).