1-(3-chlorophenyl)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-5-(furan-2-yl)pyrazole-3-carboxamide

C19H19ClN4O4S — CID 47086851

About 1-(3-chlorophenyl)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-5-(furan-2-yl)pyrazole-3-carboxamide

1-(3-chlorophenyl)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-5-(furan-2-yl)pyrazole-3-carboxamide (PubChem CID 47086851) has the molecular formula C19H19ClN4O4S and a molecular weight of 434.91 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-5-(furan-2-yl)pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-(3-chlorophenyl)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-5-(furan-2-yl)pyrazole-3-carboxamide
• PubChem CID: 47086851
• Molecular Formula: C19H19ClN4O4S
• Molecular Weight: 434.91 g/mol
• Exact Mass: 434.08
• IUPAC Name: 1-(3-chlorophenyl)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-5-(furan-2-yl)pyrazole-3-carboxamide
• SMILES: O=C(NCCN1CCCS1(=O)=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1
• InChI: InChI=1S/C19H19ClN4O4S/c20-14-4-1-5-15(12-14)24-17(18-6-2-10-28-18)13-16(22-24)19(25)21-7-9-23-8-3-11-29(23,26)27/h1-2,4-6,10,12-13H,3,7-9,11H2,(H,21,25)
• InChIKey: MBUOWKTXUYROSY-UHFFFAOYSA-N
• XLogP: 2.55
• TPSA: 97.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.91
LogP ≤ 5	2.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-5-(furan-2-yl)pyrazole-3-carboxamide?

The IUPAC name of 1-(3-chlorophenyl)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-5-(furan-2-yl)pyrazole-3-carboxamide (CID 47086851) is 1-(3-chlorophenyl)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-5-(furan-2-yl)pyrazole-3-carboxamide.

What is the SMILES notation for 1-(3-chlorophenyl)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-5-(furan-2-yl)pyrazole-3-carboxamide?

The canonical SMILES for 1-(3-chlorophenyl)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-5-(furan-2-yl)pyrazole-3-carboxamide is O=C(NCCN1CCCS1(=O)=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1.

What is the InChIKey of 1-(3-chlorophenyl)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-5-(furan-2-yl)pyrazole-3-carboxamide?

The InChIKey is MBUOWKTXUYROSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O4S/c20-14-4-1-5-15(12-14)24-17(18-6-2-10-28-18)13-16(22-24)19(25)21-7-9-23-8-3-11-29(23,26)27/h1-2,4-6,10,12-13H,3,7-9,11H2,(H,21,25).

What are the key properties of 1-(3-chlorophenyl)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-5-(furan-2-yl)pyrazole-3-carboxamide?

1-(3-chlorophenyl)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-5-(furan-2-yl)pyrazole-3-carboxamide has a molecular weight of 434.91 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-chlorophenyl)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-5-(furan-2-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 47086851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).