N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-3,5-dimethoxybenzamide

C31H28N4O5 — CID 1060751

About N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-3,5-dimethoxybenzamide

N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-3,5-dimethoxybenzamide (PubChem CID 1060751) has the molecular formula C31H28N4O5 and a molecular weight of 536.59 g/mol. Its IUPAC name is N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-3,5-dimethoxybenzamide.

Molecular Properties

• Compound Name: N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-3,5-dimethoxybenzamide
• PubChem CID: 1060751
• Molecular Formula: C31H28N4O5
• Molecular Weight: 536.59 g/mol
• Exact Mass: 536.21
• IUPAC Name: N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-3,5-dimethoxybenzamide
• SMILES: COc1cc(OC)cc(C(=O)N(CC(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)Cc2ccco2)c1
• InChI: InChI=1S/C31H28N4O5/c1-38-26-16-23(17-27(18-26)39-2)31(37)34(20-25-14-9-15-40-25)21-30(36)32-29-19-28(22-10-5-3-6-11-22)33-35(29)24-12-7-4-8-13-24/h3-19H,20-21H2,1-2H3,(H,32,36)
• InChIKey: SBVKQTITRCQRLF-UHFFFAOYSA-N
• XLogP: 5.43
• TPSA: 98.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	536.59
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-3,5-dimethoxybenzamide?

The IUPAC name of N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-3,5-dimethoxybenzamide (CID 1060751) is N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-3,5-dimethoxybenzamide.

What is the SMILES notation for N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-3,5-dimethoxybenzamide?

The canonical SMILES for N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)N(CC(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)Cc2ccco2)c1.

What is the InChIKey of N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-3,5-dimethoxybenzamide?

The InChIKey is SBVKQTITRCQRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N4O5/c1-38-26-16-23(17-27(18-26)39-2)31(37)34(20-25-14-9-15-40-25)21-30(36)32-29-19-28(22-10-5-3-6-11-22)33-35(29)24-12-7-4-8-13-24/h3-19H,20-21H2,1-2H3,(H,32,36).

What are the key properties of N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-3,5-dimethoxybenzamide?

N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-3,5-dimethoxybenzamide has a molecular weight of 536.59 g/mol, XLogP of 5.43, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-3,5-dimethoxybenzamide is sourced from PubChem (CID 1060751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).