1-(2-methoxyethyl)-3-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1-[(5-methylthiophen-2-yl)methyl]urea

C17H26N4O2S — CID 122560644

About 1-(2-methoxyethyl)-3-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1-[(5-methylthiophen-2-yl)methyl]urea

1-(2-methoxyethyl)-3-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1-[(5-methylthiophen-2-yl)methyl]urea (PubChem CID 122560644) has the molecular formula C17H26N4O2S and a molecular weight of 350.49 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1-[(5-methylthiophen-2-yl)methyl]urea.

Molecular Properties

• Compound Name: 1-(2-methoxyethyl)-3-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1-[(5-methylthiophen-2-yl)methyl]urea
• PubChem CID: 122560644
• Molecular Formula: C17H26N4O2S
• Molecular Weight: 350.49 g/mol
• Exact Mass: 350.18
• IUPAC Name: 1-(2-methoxyethyl)-3-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1-[(5-methylthiophen-2-yl)methyl]urea
• SMILES: COCCN(Cc1ccc(C)s1)C(=O)NC(C)Cc1cc(C)[nH]n1
• InChI: InChI=1S/C17H26N4O2S/c1-12(9-15-10-13(2)19-20-15)18-17(22)21(7-8-23-4)11-16-6-5-14(3)24-16/h5-6,10,12H,7-9,11H2,1-4H3,(H,18,22)(H,19,20)
• InChIKey: QYBABAZYKHYYED-UHFFFAOYSA-N
• XLogP: 2.88
• TPSA: 70.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	350.49
LogP ≤ 5	2.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1-[(5-methylthiophen-2-yl)methyl]urea?

The IUPAC name of 1-(2-methoxyethyl)-3-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1-[(5-methylthiophen-2-yl)methyl]urea (CID 122560644) is 1-(2-methoxyethyl)-3-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1-[(5-methylthiophen-2-yl)methyl]urea.

What is the SMILES notation for 1-(2-methoxyethyl)-3-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1-[(5-methylthiophen-2-yl)methyl]urea?

The canonical SMILES for 1-(2-methoxyethyl)-3-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1-[(5-methylthiophen-2-yl)methyl]urea is COCCN(Cc1ccc(C)s1)C(=O)NC(C)Cc1cc(C)[nH]n1.

What is the InChIKey of 1-(2-methoxyethyl)-3-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1-[(5-methylthiophen-2-yl)methyl]urea?

The InChIKey is QYBABAZYKHYYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2S/c1-12(9-15-10-13(2)19-20-15)18-17(22)21(7-8-23-4)11-16-6-5-14(3)24-16/h5-6,10,12H,7-9,11H2,1-4H3,(H,18,22)(H,19,20).

What are the key properties of 1-(2-methoxyethyl)-3-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1-[(5-methylthiophen-2-yl)methyl]urea?

1-(2-methoxyethyl)-3-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1-[(5-methylthiophen-2-yl)methyl]urea has a molecular weight of 350.49 g/mol, XLogP of 2.88, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-methoxyethyl)-3-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1-[(5-methylthiophen-2-yl)methyl]urea is sourced from PubChem (CID 122560644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).