N-[2-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3-fluoro-N-methylbenzamide

C25H24FN3O4S — CID 51067685

About N-[2-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3-fluoro-N-methylbenzamide

N-[2-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3-fluoro-N-methylbenzamide (PubChem CID 51067685) has the molecular formula C25H24FN3O4S and a molecular weight of 481.55 g/mol. Its IUPAC name is N-[2-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3-fluoro-N-methylbenzamide.

Molecular Properties

• Compound Name: N-[2-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3-fluoro-N-methylbenzamide
• PubChem CID: 51067685
• Molecular Formula: C25H24FN3O4S
• Molecular Weight: 481.55 g/mol
• Exact Mass: 481.15
• IUPAC Name: N-[2-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3-fluoro-N-methylbenzamide
• SMILES: COc1ccc(C2CC(c3cccs3)=NN2C(=O)CN(C)C(=O)c2cccc(F)c2)cc1OC
• InChI: InChI=1S/C25H24FN3O4S/c1-28(25(31)17-6-4-7-18(26)12-17)15-24(30)29-20(14-19(27-29)23-8-5-11-34-23)16-9-10-21(32-2)22(13-16)33-3/h4-13,20H,14-15H2,1-3H3
• InChIKey: SFPGVTHSSINBKA-UHFFFAOYSA-N
• XLogP: 4.35
• TPSA: 71.44 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.55
LogP ≤ 5	4.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3-fluoro-N-methylbenzamide?

The IUPAC name of N-[2-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3-fluoro-N-methylbenzamide (CID 51067685) is N-[2-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3-fluoro-N-methylbenzamide.

What is the SMILES notation for N-[2-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3-fluoro-N-methylbenzamide?

The canonical SMILES for N-[2-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3-fluoro-N-methylbenzamide is COc1ccc(C2CC(c3cccs3)=NN2C(=O)CN(C)C(=O)c2cccc(F)c2)cc1OC.

What is the InChIKey of N-[2-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3-fluoro-N-methylbenzamide?

The InChIKey is SFPGVTHSSINBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O4S/c1-28(25(31)17-6-4-7-18(26)12-17)15-24(30)29-20(14-19(27-29)23-8-5-11-34-23)16-9-10-21(32-2)22(13-16)33-3/h4-13,20H,14-15H2,1-3H3.

What are the key properties of N-[2-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3-fluoro-N-methylbenzamide?

N-[2-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3-fluoro-N-methylbenzamide has a molecular weight of 481.55 g/mol, XLogP of 4.35, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3-fluoro-N-methylbenzamide is sourced from PubChem (CID 51067685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).