N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide

C24H21ClF3N3O3 — CID 19325923

About N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide

N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide (PubChem CID 19325923) has the molecular formula C24H21ClF3N3O3 and a molecular weight of 491.90 g/mol. Its IUPAC name is N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide
• PubChem CID: 19325923
• Molecular Formula: C24H21ClF3N3O3
• Molecular Weight: 491.90 g/mol
• Exact Mass: 491.12
• IUPAC Name: N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide
• SMILES: Cc1c(Cl)c(C(F)(F)F)nn1CCCNC(=O)c1ccc(COc2cccc3ccccc23)o1
• InChI: InChI=1S/C24H21ClF3N3O3/c1-15-21(25)22(24(26,27)28)30-31(15)13-5-12-29-23(32)20-11-10-17(34-20)14-33-19-9-4-7-16-6-2-3-8-18(16)19/h2-4,6-11H,5,12-14H2,1H3,(H,29,32)
• InChIKey: HGWCLVFZJCBGLO-UHFFFAOYSA-N
• XLogP: 6.01
• TPSA: 69.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	491.90
LogP ≤ 5	6.01
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]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide?

The IUPAC name of N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide (CID 19325923) is N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide.

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

The canonical SMILES for N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide is Cc1c(Cl)c(C(F)(F)F)nn1CCCNC(=O)c1ccc(COc2cccc3ccccc23)o1.

What is the InChIKey of N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide?

The InChIKey is HGWCLVFZJCBGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClF3N3O3/c1-15-21(25)22(24(26,27)28)30-31(15)13-5-12-29-23(32)20-11-10-17(34-20)14-33-19-9-4-7-16-6-2-3-8-18(16)19/h2-4,6-11H,5,12-14H2,1H3,(H,29,32).

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

N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide has a molecular weight of 491.90 g/mol, XLogP of 6.01, 8 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]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide is sourced from PubChem (CID 19325923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).