1-[1-(4-methylphenyl)-3-trimethylsilylpyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea

C30H37N5O3Si — CID 11180295

About 1-[1-(4-methylphenyl)-3-trimethylsilylpyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea

1-[1-(4-methylphenyl)-3-trimethylsilylpyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea (PubChem CID 11180295) has the molecular formula C30H37N5O3Si and a molecular weight of 543.74 g/mol. Its IUPAC name is 1-[1-(4-methylphenyl)-3-trimethylsilylpyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea.

Molecular Properties

• Compound Name: 1-[1-(4-methylphenyl)-3-trimethylsilylpyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea
• PubChem CID: 11180295
• Molecular Formula: C30H37N5O3Si
• Molecular Weight: 543.74 g/mol
• Exact Mass: 543.27
• IUPAC Name: 1-[1-(4-methylphenyl)-3-trimethylsilylpyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea
• SMILES: Cc1ccc(-n2nc([Si](C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1
• InChI: InChI=1S/C30H37N5O3Si/c1-22-9-11-23(12-10-22)35-28(21-29(33-35)39(2,3)4)32-30(36)31-26-13-14-27(25-8-6-5-7-24(25)26)38-20-17-34-15-18-37-19-16-34/h5-14,21H,15-20H2,1-4H3,(H2,31,32,36)
• InChIKey: WWTTXMQTJXMGQM-UHFFFAOYSA-N
• XLogP: 5.23
• TPSA: 80.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	543.74
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methylphenyl)-3-trimethylsilylpyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea?

The IUPAC name of 1-[1-(4-methylphenyl)-3-trimethylsilylpyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea (CID 11180295) is 1-[1-(4-methylphenyl)-3-trimethylsilylpyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea.

What is the SMILES notation for 1-[1-(4-methylphenyl)-3-trimethylsilylpyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea?

The canonical SMILES for 1-[1-(4-methylphenyl)-3-trimethylsilylpyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea is Cc1ccc(-n2nc([Si](C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1.

What is the InChIKey of 1-[1-(4-methylphenyl)-3-trimethylsilylpyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea?

The InChIKey is WWTTXMQTJXMGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N5O3Si/c1-22-9-11-23(12-10-22)35-28(21-29(33-35)39(2,3)4)32-30(36)31-26-13-14-27(25-8-6-5-7-24(25)26)38-20-17-34-15-18-37-19-16-34/h5-14,21H,15-20H2,1-4H3,(H2,31,32,36).

What are the key properties of 1-[1-(4-methylphenyl)-3-trimethylsilylpyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea?

1-[1-(4-methylphenyl)-3-trimethylsilylpyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea has a molecular weight of 543.74 g/mol, XLogP of 5.23, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(4-methylphenyl)-3-trimethylsilylpyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea is sourced from PubChem (CID 11180295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).