1-(3,4-dichlorophenyl)-3-(furan-2-yl)-N-(2-phenylethyl)pyrazole-5-carboxamide

C22H17Cl2N3O2 — CID 1053539

About 1-(3,4-dichlorophenyl)-3-(furan-2-yl)-N-(2-phenylethyl)pyrazole-5-carboxamide

1-(3,4-dichlorophenyl)-3-(furan-2-yl)-N-(2-phenylethyl)pyrazole-5-carboxamide (PubChem CID 1053539) has the molecular formula C22H17Cl2N3O2 and a molecular weight of 426.30 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-(furan-2-yl)-N-(2-phenylethyl)pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: 1-(3,4-dichlorophenyl)-3-(furan-2-yl)-N-(2-phenylethyl)pyrazole-5-carboxamide
• PubChem CID: 1053539
• Molecular Formula: C22H17Cl2N3O2
• Molecular Weight: 426.30 g/mol
• Exact Mass: 425.07
• IUPAC Name: 1-(3,4-dichlorophenyl)-3-(furan-2-yl)-N-(2-phenylethyl)pyrazole-5-carboxamide
• SMILES: O=C(NCCc1ccccc1)c1cc(-c2ccco2)nn1-c1ccc(Cl)c(Cl)c1
• InChI: InChI=1S/C22H17Cl2N3O2/c23-17-9-8-16(13-18(17)24)27-20(14-19(26-27)21-7-4-12-29-21)22(28)25-11-10-15-5-2-1-3-6-15/h1-9,12-14H,10-11H2,(H,25,28)
• InChIKey: WEODEYXAFMFQEI-UHFFFAOYSA-N
• XLogP: 5.41
• TPSA: 60.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	426.30
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 1-(3,4-dichlorophenyl)-3-(furan-2-yl)-N-(2-phenylethyl)pyrazole-5-carboxamide (CID 1053539) is 1-(3,4-dichlorophenyl)-3-(furan-2-yl)-N-(2-phenylethyl)pyrazole-5-carboxamide.

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

The canonical SMILES for 1-(3,4-dichlorophenyl)-3-(furan-2-yl)-N-(2-phenylethyl)pyrazole-5-carboxamide is O=C(NCCc1ccccc1)c1cc(-c2ccco2)nn1-c1ccc(Cl)c(Cl)c1.

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

The InChIKey is WEODEYXAFMFQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2N3O2/c23-17-9-8-16(13-18(17)24)27-20(14-19(26-27)21-7-4-12-29-21)22(28)25-11-10-15-5-2-1-3-6-15/h1-9,12-14H,10-11H2,(H,25,28).

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

1-(3,4-dichlorophenyl)-3-(furan-2-yl)-N-(2-phenylethyl)pyrazole-5-carboxamide has a molecular weight of 426.30 g/mol, XLogP of 5.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3,4-dichlorophenyl)-3-(furan-2-yl)-N-(2-phenylethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 1053539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).