1-[1-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-3-phenylpyrazol-5-yl]-3-(4-methylphenyl)urea

C24H28N6O2 — CID 74924907

About 1-[1-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-3-phenylpyrazol-5-yl]-3-(4-methylphenyl)urea

1-[1-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-3-phenylpyrazol-5-yl]-3-(4-methylphenyl)urea (PubChem CID 74924907) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is 1-[1-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-3-phenylpyrazol-5-yl]-3-(4-methylphenyl)urea.

Molecular Properties

• Compound Name: 1-[1-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-3-phenylpyrazol-5-yl]-3-(4-methylphenyl)urea
• PubChem CID: 74924907
• Molecular Formula: C24H28N6O2
• Molecular Weight: 432.53 g/mol
• Exact Mass: 432.23
• IUPAC Name: 1-[1-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-3-phenylpyrazol-5-yl]-3-(4-methylphenyl)urea
• SMILES: CCC1C(=O)NC(n2nc(-c3ccccc3)cc2NC(=O)Nc2ccc(C)cc2)NC1C
• InChI: InChI=1S/C24H28N6O2/c1-4-19-16(3)25-23(28-22(19)31)30-21(14-20(29-30)17-8-6-5-7-9-17)27-24(32)26-18-12-10-15(2)11-13-18/h5-14,16,19,23,25H,4H2,1-3H3,(H,28,31)(H2,26,27,32)
• InChIKey: MEVGLXLCYPVWGM-UHFFFAOYSA-N
• XLogP: 4.09
• TPSA: 100.08 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.53
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-3-phenylpyrazol-5-yl]-3-(4-methylphenyl)urea?

The IUPAC name of 1-[1-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-3-phenylpyrazol-5-yl]-3-(4-methylphenyl)urea (CID 74924907) is 1-[1-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-3-phenylpyrazol-5-yl]-3-(4-methylphenyl)urea.

What is the SMILES notation for 1-[1-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-3-phenylpyrazol-5-yl]-3-(4-methylphenyl)urea?

The canonical SMILES for 1-[1-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-3-phenylpyrazol-5-yl]-3-(4-methylphenyl)urea is CCC1C(=O)NC(n2nc(-c3ccccc3)cc2NC(=O)Nc2ccc(C)cc2)NC1C.

What is the InChIKey of 1-[1-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-3-phenylpyrazol-5-yl]-3-(4-methylphenyl)urea?

The InChIKey is MEVGLXLCYPVWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2/c1-4-19-16(3)25-23(28-22(19)31)30-21(14-20(29-30)17-8-6-5-7-9-17)27-24(32)26-18-12-10-15(2)11-13-18/h5-14,16,19,23,25H,4H2,1-3H3,(H,28,31)(H2,26,27,32).

What are the key properties of 1-[1-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-3-phenylpyrazol-5-yl]-3-(4-methylphenyl)urea?

1-[1-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-3-phenylpyrazol-5-yl]-3-(4-methylphenyl)urea has a molecular weight of 432.53 g/mol, XLogP of 4.09, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-3-phenylpyrazol-5-yl]-3-(4-methylphenyl)urea is sourced from PubChem (CID 74924907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).