N-(2-methoxyethyl)-N-[2-[3-(3-methylthiophen-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide

C25H24F3N3O3S2 — CID 51067698

About N-(2-methoxyethyl)-N-[2-[3-(3-methylthiophen-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide

N-(2-methoxyethyl)-N-[2-[3-(3-methylthiophen-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide (PubChem CID 51067698) has the molecular formula C25H24F3N3O3S2 and a molecular weight of 535.61 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[2-[3-(3-methylthiophen-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: N-(2-methoxyethyl)-N-[2-[3-(3-methylthiophen-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide
• PubChem CID: 51067698
• Molecular Formula: C25H24F3N3O3S2
• Molecular Weight: 535.61 g/mol
• Exact Mass: 535.12
• IUPAC Name: N-(2-methoxyethyl)-N-[2-[3-(3-methylthiophen-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide
• SMILES: COCCN(CC(=O)N1N=C(c2cccs2)CC1c1sccc1C)C(=O)c1ccc(C(F)(F)F)cc1
• InChI: InChI=1S/C25H24F3N3O3S2/c1-16-9-13-36-23(16)20-14-19(21-4-3-12-35-21)29-31(20)22(32)15-30(10-11-34-2)24(33)17-5-7-18(8-6-17)25(26,27)28/h3-9,12-13,20H,10-11,14-15H2,1-2H3
• InChIKey: WYBYVDGZKFUBKE-UHFFFAOYSA-N
• XLogP: 5.60
• TPSA: 62.21 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	535.61
LogP ≤ 5	5.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-[2-[3-(3-methylthiophen-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide?

The IUPAC name of N-(2-methoxyethyl)-N-[2-[3-(3-methylthiophen-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide (CID 51067698) is N-(2-methoxyethyl)-N-[2-[3-(3-methylthiophen-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide.

What is the SMILES notation for N-(2-methoxyethyl)-N-[2-[3-(3-methylthiophen-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide?

The canonical SMILES for N-(2-methoxyethyl)-N-[2-[3-(3-methylthiophen-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide is COCCN(CC(=O)N1N=C(c2cccs2)CC1c1sccc1C)C(=O)c1ccc(C(F)(F)F)cc1.

What is the InChIKey of N-(2-methoxyethyl)-N-[2-[3-(3-methylthiophen-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide?

The InChIKey is WYBYVDGZKFUBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N3O3S2/c1-16-9-13-36-23(16)20-14-19(21-4-3-12-35-21)29-31(20)22(32)15-30(10-11-34-2)24(33)17-5-7-18(8-6-17)25(26,27)28/h3-9,12-13,20H,10-11,14-15H2,1-2H3.

What are the key properties of N-(2-methoxyethyl)-N-[2-[3-(3-methylthiophen-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide?

N-(2-methoxyethyl)-N-[2-[3-(3-methylthiophen-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide has a molecular weight of 535.61 g/mol, XLogP of 5.60, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methoxyethyl)-N-[2-[3-(3-methylthiophen-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 51067698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).