1-(1-methyl-5-phenylpyrazol-3-yl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea

C24H28N4O — CID 108812939

About 1-(1-methyl-5-phenylpyrazol-3-yl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea

1-(1-methyl-5-phenylpyrazol-3-yl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea (PubChem CID 108812939) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is 1-(1-methyl-5-phenylpyrazol-3-yl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea.

Molecular Properties

• Compound Name: 1-(1-methyl-5-phenylpyrazol-3-yl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea
• PubChem CID: 108812939
• Molecular Formula: C24H28N4O
• Molecular Weight: 388.52 g/mol
• Exact Mass: 388.23
• IUPAC Name: 1-(1-methyl-5-phenylpyrazol-3-yl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea
• SMILES: CCC(NC(=O)Nc1cc(-c2ccccc2)n(C)n1)c1ccc2c(c1)CCCC2
• InChI: InChI=1S/C24H28N4O/c1-3-21(20-14-13-17-9-7-8-12-19(17)15-20)25-24(29)26-23-16-22(28(2)27-23)18-10-5-4-6-11-18/h4-6,10-11,13-16,21H,3,7-9,12H2,1-2H3,(H2,25,26,27,29)
• InChIKey: ZURHDTLKVYYHDQ-UHFFFAOYSA-N
• XLogP: 5.24
• TPSA: 58.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	388.52
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-5-phenylpyrazol-3-yl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea?

The IUPAC name of 1-(1-methyl-5-phenylpyrazol-3-yl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea (CID 108812939) is 1-(1-methyl-5-phenylpyrazol-3-yl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea.

What is the SMILES notation for 1-(1-methyl-5-phenylpyrazol-3-yl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea?

The canonical SMILES for 1-(1-methyl-5-phenylpyrazol-3-yl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea is CCC(NC(=O)Nc1cc(-c2ccccc2)n(C)n1)c1ccc2c(c1)CCCC2.

What is the InChIKey of 1-(1-methyl-5-phenylpyrazol-3-yl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea?

The InChIKey is ZURHDTLKVYYHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-3-21(20-14-13-17-9-7-8-12-19(17)15-20)25-24(29)26-23-16-22(28(2)27-23)18-10-5-4-6-11-18/h4-6,10-11,13-16,21H,3,7-9,12H2,1-2H3,(H2,25,26,27,29).

What are the key properties of 1-(1-methyl-5-phenylpyrazol-3-yl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea?

1-(1-methyl-5-phenylpyrazol-3-yl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea has a molecular weight of 388.52 g/mol, XLogP of 5.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1-methyl-5-phenylpyrazol-3-yl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea is sourced from PubChem (CID 108812939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).