1-[(3-methoxyphenyl)methyl]-3-[4-(5-methyl-1H-pyrazol-4-yl)-2-(2-morpholin-4-ylethoxy)phenyl]urea

C25H31N5O4 — CID 45380560

About 1-[(3-methoxyphenyl)methyl]-3-[4-(5-methyl-1H-pyrazol-4-yl)-2-(2-morpholin-4-ylethoxy)phenyl]urea

1-[(3-methoxyphenyl)methyl]-3-[4-(5-methyl-1H-pyrazol-4-yl)-2-(2-morpholin-4-ylethoxy)phenyl]urea (PubChem CID 45380560) has the molecular formula C25H31N5O4 and a molecular weight of 465.55 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methyl]-3-[4-(5-methyl-1H-pyrazol-4-yl)-2-(2-morpholin-4-ylethoxy)phenyl]urea.

Molecular Properties

• Compound Name: 1-[(3-methoxyphenyl)methyl]-3-[4-(5-methyl-1H-pyrazol-4-yl)-2-(2-morpholin-4-ylethoxy)phenyl]urea
• PubChem CID: 45380560
• Molecular Formula: C25H31N5O4
• Molecular Weight: 465.55 g/mol
• Exact Mass: 465.24
• IUPAC Name: 1-[(3-methoxyphenyl)methyl]-3-[4-(5-methyl-1H-pyrazol-4-yl)-2-(2-morpholin-4-ylethoxy)phenyl]urea
• SMILES: COc1cccc(CNC(=O)Nc2ccc(-c3cn[nH]c3C)cc2OCCN2CCOCC2)c1
• InChI: InChI=1S/C25H31N5O4/c1-18-22(17-27-29-18)20-6-7-23(24(15-20)34-13-10-30-8-11-33-12-9-30)28-25(31)26-16-19-4-3-5-21(14-19)32-2/h3-7,14-15,17H,8-13,16H2,1-2H3,(H,27,29)(H2,26,28,31)
• InChIKey: MGMPLPQZEJZYHR-UHFFFAOYSA-N
• XLogP: 3.43
• TPSA: 100.74 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.55
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methyl]-3-[4-(5-methyl-1H-pyrazol-4-yl)-2-(2-morpholin-4-ylethoxy)phenyl]urea?

The IUPAC name of 1-[(3-methoxyphenyl)methyl]-3-[4-(5-methyl-1H-pyrazol-4-yl)-2-(2-morpholin-4-ylethoxy)phenyl]urea (CID 45380560) is 1-[(3-methoxyphenyl)methyl]-3-[4-(5-methyl-1H-pyrazol-4-yl)-2-(2-morpholin-4-ylethoxy)phenyl]urea.

What is the SMILES notation for 1-[(3-methoxyphenyl)methyl]-3-[4-(5-methyl-1H-pyrazol-4-yl)-2-(2-morpholin-4-ylethoxy)phenyl]urea?

The canonical SMILES for 1-[(3-methoxyphenyl)methyl]-3-[4-(5-methyl-1H-pyrazol-4-yl)-2-(2-morpholin-4-ylethoxy)phenyl]urea is COc1cccc(CNC(=O)Nc2ccc(-c3cn[nH]c3C)cc2OCCN2CCOCC2)c1.

What is the InChIKey of 1-[(3-methoxyphenyl)methyl]-3-[4-(5-methyl-1H-pyrazol-4-yl)-2-(2-morpholin-4-ylethoxy)phenyl]urea?

The InChIKey is MGMPLPQZEJZYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O4/c1-18-22(17-27-29-18)20-6-7-23(24(15-20)34-13-10-30-8-11-33-12-9-30)28-25(31)26-16-19-4-3-5-21(14-19)32-2/h3-7,14-15,17H,8-13,16H2,1-2H3,(H,27,29)(H2,26,28,31).

What are the key properties of 1-[(3-methoxyphenyl)methyl]-3-[4-(5-methyl-1H-pyrazol-4-yl)-2-(2-morpholin-4-ylethoxy)phenyl]urea?

1-[(3-methoxyphenyl)methyl]-3-[4-(5-methyl-1H-pyrazol-4-yl)-2-(2-morpholin-4-ylethoxy)phenyl]urea has a molecular weight of 465.55 g/mol, XLogP of 3.43, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3-methoxyphenyl)methyl]-3-[4-(5-methyl-1H-pyrazol-4-yl)-2-(2-morpholin-4-ylethoxy)phenyl]urea is sourced from PubChem (CID 45380560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).