N-[2-[4-[2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl]piperazin-1-yl]ethyl]furan-2-carboxamide

C24H30N6O3 — CID 34618260

About N-[2-[4-[2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl]piperazin-1-yl]ethyl]furan-2-carboxamide

N-[2-[4-[2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl]piperazin-1-yl]ethyl]furan-2-carboxamide (PubChem CID 34618260) has the molecular formula C24H30N6O3 and a molecular weight of 450.54 g/mol. Its IUPAC name is N-[2-[4-[2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl]piperazin-1-yl]ethyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[4-[2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl]piperazin-1-yl]ethyl]furan-2-carboxamide
• PubChem CID: 34618260
• Molecular Formula: C24H30N6O3
• Molecular Weight: 450.54 g/mol
• Exact Mass: 450.24
• IUPAC Name: N-[2-[4-[2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl]piperazin-1-yl]ethyl]furan-2-carboxamide
• SMILES: Cc1ccc(-n2nc(C)cc2NC(=O)CN2CCN(CCNC(=O)c3ccco3)CC2)cc1
• InChI: InChI=1S/C24H30N6O3/c1-18-5-7-20(8-6-18)30-22(16-19(2)27-30)26-23(31)17-29-13-11-28(12-14-29)10-9-25-24(32)21-4-3-15-33-21/h3-8,15-16H,9-14,17H2,1-2H3,(H,25,32)(H,26,31)
• InChIKey: DDWXIPSJOVVYME-UHFFFAOYSA-N
• XLogP: 2.07
• TPSA: 95.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.54
LogP ≤ 5	2.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl]piperazin-1-yl]ethyl]furan-2-carboxamide?

The IUPAC name of N-[2-[4-[2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl]piperazin-1-yl]ethyl]furan-2-carboxamide (CID 34618260) is N-[2-[4-[2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl]piperazin-1-yl]ethyl]furan-2-carboxamide.

What is the SMILES notation for N-[2-[4-[2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl]piperazin-1-yl]ethyl]furan-2-carboxamide?

The canonical SMILES for N-[2-[4-[2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl]piperazin-1-yl]ethyl]furan-2-carboxamide is Cc1ccc(-n2nc(C)cc2NC(=O)CN2CCN(CCNC(=O)c3ccco3)CC2)cc1.

What is the InChIKey of N-[2-[4-[2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl]piperazin-1-yl]ethyl]furan-2-carboxamide?

The InChIKey is DDWXIPSJOVVYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O3/c1-18-5-7-20(8-6-18)30-22(16-19(2)27-30)26-23(31)17-29-13-11-28(12-14-29)10-9-25-24(32)21-4-3-15-33-21/h3-8,15-16H,9-14,17H2,1-2H3,(H,25,32)(H,26,31).

What are the key properties of N-[2-[4-[2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl]piperazin-1-yl]ethyl]furan-2-carboxamide?

N-[2-[4-[2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl]piperazin-1-yl]ethyl]furan-2-carboxamide has a molecular weight of 450.54 g/mol, XLogP of 2.07, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-[2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl]piperazin-1-yl]ethyl]furan-2-carboxamide is sourced from PubChem (CID 34618260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).