N-[2-(2,4-dichlorophenyl)ethyl]-3-(furan-2-yl)-1-(3-methylphenyl)pyrazole-5-carboxamide

C23H19Cl2N3O2 — CID 4309486

About N-[2-(2,4-dichlorophenyl)ethyl]-3-(furan-2-yl)-1-(3-methylphenyl)pyrazole-5-carboxamide

N-[2-(2,4-dichlorophenyl)ethyl]-3-(furan-2-yl)-1-(3-methylphenyl)pyrazole-5-carboxamide (PubChem CID 4309486) has the molecular formula C23H19Cl2N3O2 and a molecular weight of 440.33 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-3-(furan-2-yl)-1-(3-methylphenyl)pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[2-(2,4-dichlorophenyl)ethyl]-3-(furan-2-yl)-1-(3-methylphenyl)pyrazole-5-carboxamide
• PubChem CID: 4309486
• Molecular Formula: C23H19Cl2N3O2
• Molecular Weight: 440.33 g/mol
• Exact Mass: 439.09
• IUPAC Name: N-[2-(2,4-dichlorophenyl)ethyl]-3-(furan-2-yl)-1-(3-methylphenyl)pyrazole-5-carboxamide
• SMILES: Cc1cccc(-n2nc(-c3ccco3)cc2C(=O)NCCc2ccc(Cl)cc2Cl)c1
• InChI: InChI=1S/C23H19Cl2N3O2/c1-15-4-2-5-18(12-15)28-21(14-20(27-28)22-6-3-11-30-22)23(29)26-10-9-16-7-8-17(24)13-19(16)25/h2-8,11-14H,9-10H2,1H3,(H,26,29)
• InChIKey: NQEOGJCTOHTPEB-UHFFFAOYSA-N
• XLogP: 5.72
• TPSA: 60.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	440.33
LogP ≤ 5	5.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-3-(furan-2-yl)-1-(3-methylphenyl)pyrazole-5-carboxamide?

The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-3-(furan-2-yl)-1-(3-methylphenyl)pyrazole-5-carboxamide (CID 4309486) is N-[2-(2,4-dichlorophenyl)ethyl]-3-(furan-2-yl)-1-(3-methylphenyl)pyrazole-5-carboxamide.

What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-3-(furan-2-yl)-1-(3-methylphenyl)pyrazole-5-carboxamide?

The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-3-(furan-2-yl)-1-(3-methylphenyl)pyrazole-5-carboxamide is Cc1cccc(-n2nc(-c3ccco3)cc2C(=O)NCCc2ccc(Cl)cc2Cl)c1.

What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-3-(furan-2-yl)-1-(3-methylphenyl)pyrazole-5-carboxamide?

The InChIKey is NQEOGJCTOHTPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2N3O2/c1-15-4-2-5-18(12-15)28-21(14-20(27-28)22-6-3-11-30-22)23(29)26-10-9-16-7-8-17(24)13-19(16)25/h2-8,11-14H,9-10H2,1H3,(H,26,29).

What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-3-(furan-2-yl)-1-(3-methylphenyl)pyrazole-5-carboxamide?

N-[2-(2,4-dichlorophenyl)ethyl]-3-(furan-2-yl)-1-(3-methylphenyl)pyrazole-5-carboxamide has a molecular weight of 440.33 g/mol, XLogP of 5.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2,4-dichlorophenyl)ethyl]-3-(furan-2-yl)-1-(3-methylphenyl)pyrazole-5-carboxamide is sourced from PubChem (CID 4309486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).