N-[2-[3-(2-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)propanamide

C24H29ClN4O3S — CID 51067598

About N-[2-[3-(2-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)propanamide

N-[2-[3-(2-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)propanamide (PubChem CID 51067598) has the molecular formula C24H29ClN4O3S and a molecular weight of 489.04 g/mol. Its IUPAC name is N-[2-[3-(2-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)propanamide.

Molecular Properties

• Compound Name: N-[2-[3-(2-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)propanamide
• PubChem CID: 51067598
• Molecular Formula: C24H29ClN4O3S
• Molecular Weight: 489.04 g/mol
• Exact Mass: 488.16
• IUPAC Name: N-[2-[3-(2-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)propanamide
• SMILES: CCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccs2)CC1c1ccccc1Cl
• InChI: InChI=1S/C24H29ClN4O3S/c1-2-23(30)28(10-9-27-11-13-32-14-12-27)17-24(31)29-21(18-6-3-4-7-19(18)25)16-20(26-29)22-8-5-15-33-22/h3-8,15,21H,2,9-14,16-17H2,1H3
• InChIKey: UZEJCPGVGKCRMV-UHFFFAOYSA-N
• XLogP: 3.65
• TPSA: 65.45 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	489.04
LogP ≤ 5	3.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(2-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)propanamide?

The IUPAC name of N-[2-[3-(2-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)propanamide (CID 51067598) is N-[2-[3-(2-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)propanamide.

What is the SMILES notation for N-[2-[3-(2-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)propanamide?

The canonical SMILES for N-[2-[3-(2-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)propanamide is CCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccs2)CC1c1ccccc1Cl.

What is the InChIKey of N-[2-[3-(2-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)propanamide?

The InChIKey is UZEJCPGVGKCRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4O3S/c1-2-23(30)28(10-9-27-11-13-32-14-12-27)17-24(31)29-21(18-6-3-4-7-19(18)25)16-20(26-29)22-8-5-15-33-22/h3-8,15,21H,2,9-14,16-17H2,1H3.

What are the key properties of N-[2-[3-(2-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)propanamide?

N-[2-[3-(2-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)propanamide has a molecular weight of 489.04 g/mol, XLogP of 3.65, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[3-(2-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)propanamide is sourced from PubChem (CID 51067598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).