2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]acetamide

C23H28N4O2S — CID 37217772

About 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]acetamide

2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]acetamide (PubChem CID 37217772) has the molecular formula C23H28N4O2S and a molecular weight of 424.57 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]acetamide.

Molecular Properties

• Compound Name: 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]acetamide
• PubChem CID: 37217772
• Molecular Formula: C23H28N4O2S
• Molecular Weight: 424.57 g/mol
• Exact Mass: 424.19
• IUPAC Name: 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]acetamide
• SMILES: Cc1nn(-c2ccccc2)c(C)c1CC(=O)NC[C@@H](c1cccs1)N1CCOCC1
• InChI: InChI=1S/C23H28N4O2S/c1-17-20(18(2)27(25-17)19-7-4-3-5-8-19)15-23(28)24-16-21(22-9-6-14-30-22)26-10-12-29-13-11-26/h3-9,14,21H,10-13,15-16H2,1-2H3,(H,24,28)/t21-/m0/s1
• InChIKey: UWRZKCFPNGICKC-NRFANRHFSA-N
• XLogP: 3.28
• TPSA: 59.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.57
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]acetamide?

The IUPAC name of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]acetamide (CID 37217772) is 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]acetamide.

What is the SMILES notation for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]acetamide?

The canonical SMILES for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]acetamide is Cc1nn(-c2ccccc2)c(C)c1CC(=O)NC[C@@H](c1cccs1)N1CCOCC1.

What is the InChIKey of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]acetamide?

The InChIKey is UWRZKCFPNGICKC-NRFANRHFSA-N. The full InChI is InChI=1S/C23H28N4O2S/c1-17-20(18(2)27(25-17)19-7-4-3-5-8-19)15-23(28)24-16-21(22-9-6-14-30-22)26-10-12-29-13-11-26/h3-9,14,21H,10-13,15-16H2,1-2H3,(H,24,28)/t21-/m0/s1.

What are the key properties of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]acetamide?

2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]acetamide has a molecular weight of 424.57 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]acetamide is sourced from PubChem (CID 37217772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).