1-ethyl-3-[(1R)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-1-[(1-methylpyrazol-4-yl)methyl]urea

C20H26N6O2 — CID 125444856

About 1-ethyl-3-[(1R)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-1-[(1-methylpyrazol-4-yl)methyl]urea

1-ethyl-3-[(1R)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-1-[(1-methylpyrazol-4-yl)methyl]urea (PubChem CID 125444856) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 1-ethyl-3-[(1R)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-1-[(1-methylpyrazol-4-yl)methyl]urea.

Molecular Properties

• Compound Name: 1-ethyl-3-[(1R)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-1-[(1-methylpyrazol-4-yl)methyl]urea
• PubChem CID: 125444856
• Molecular Formula: C20H26N6O2
• Molecular Weight: 382.47 g/mol
• Exact Mass: 382.21
• IUPAC Name: 1-ethyl-3-[(1R)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-1-[(1-methylpyrazol-4-yl)methyl]urea
• SMILES: CCN(Cc1cnn(C)c1)C(=O)N[C@H](C)c1cnn(-c2ccccc2OC)c1
• InChI: InChI=1S/C20H26N6O2/c1-5-25(13-16-10-21-24(3)12-16)20(27)23-15(2)17-11-22-26(14-17)18-8-6-7-9-19(18)28-4/h6-12,14-15H,5,13H2,1-4H3,(H,23,27)/t15-/m1/s1
• InChIKey: QLFMBHIUKMJVDF-OAHLLOKOSA-N
• XLogP: 2.91
• TPSA: 77.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.47
LogP ≤ 5	2.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(1R)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-1-[(1-methylpyrazol-4-yl)methyl]urea?

The IUPAC name of 1-ethyl-3-[(1R)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-1-[(1-methylpyrazol-4-yl)methyl]urea (CID 125444856) is 1-ethyl-3-[(1R)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-1-[(1-methylpyrazol-4-yl)methyl]urea.

What is the SMILES notation for 1-ethyl-3-[(1R)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-1-[(1-methylpyrazol-4-yl)methyl]urea?

The canonical SMILES for 1-ethyl-3-[(1R)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-1-[(1-methylpyrazol-4-yl)methyl]urea is CCN(Cc1cnn(C)c1)C(=O)N[C@H](C)c1cnn(-c2ccccc2OC)c1.

What is the InChIKey of 1-ethyl-3-[(1R)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-1-[(1-methylpyrazol-4-yl)methyl]urea?

The InChIKey is QLFMBHIUKMJVDF-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H26N6O2/c1-5-25(13-16-10-21-24(3)12-16)20(27)23-15(2)17-11-22-26(14-17)18-8-6-7-9-19(18)28-4/h6-12,14-15H,5,13H2,1-4H3,(H,23,27)/t15-/m1/s1.

What are the key properties of 1-ethyl-3-[(1R)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-1-[(1-methylpyrazol-4-yl)methyl]urea?

1-ethyl-3-[(1R)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-1-[(1-methylpyrazol-4-yl)methyl]urea has a molecular weight of 382.47 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-3-[(1R)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-1-[(1-methylpyrazol-4-yl)methyl]urea is sourced from PubChem (CID 125444856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).