1-(2,5-difluoro-4-methoxyphenyl)-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea

C15H18F2N4O2 — CID 99716281

About 1-(2,5-difluoro-4-methoxyphenyl)-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea

1-(2,5-difluoro-4-methoxyphenyl)-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea (PubChem CID 99716281) has the molecular formula C15H18F2N4O2 and a molecular weight of 324.33 g/mol. Its IUPAC name is 1-(2,5-difluoro-4-methoxyphenyl)-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea.

Molecular Properties

• Compound Name: 1-(2,5-difluoro-4-methoxyphenyl)-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
• PubChem CID: 99716281
• Molecular Formula: C15H18F2N4O2
• Molecular Weight: 324.33 g/mol
• Exact Mass: 324.14
• IUPAC Name: 1-(2,5-difluoro-4-methoxyphenyl)-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
• SMILES: COc1cc(F)c(NC(=O)N[C@H](C)Cc2cc(C)[nH]n2)cc1F
• InChI: InChI=1S/C15H18F2N4O2/c1-8(4-10-5-9(2)20-21-10)18-15(22)19-13-6-12(17)14(23-3)7-11(13)16/h5-8H,4H2,1-3H3,(H,20,21)(H2,18,19,22)/t8-/m1/s1
• InChIKey: VMCXCUSLSNBYPC-MRVPVSSYSA-N
• XLogP: 2.76
• TPSA: 79.04 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	324.33
LogP ≤ 5	2.76
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluoro-4-methoxyphenyl)-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea?

The IUPAC name of 1-(2,5-difluoro-4-methoxyphenyl)-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea (CID 99716281) is 1-(2,5-difluoro-4-methoxyphenyl)-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea.

What is the SMILES notation for 1-(2,5-difluoro-4-methoxyphenyl)-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea?

The canonical SMILES for 1-(2,5-difluoro-4-methoxyphenyl)-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea is COc1cc(F)c(NC(=O)N[C@H](C)Cc2cc(C)[nH]n2)cc1F.

What is the InChIKey of 1-(2,5-difluoro-4-methoxyphenyl)-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea?

The InChIKey is VMCXCUSLSNBYPC-MRVPVSSYSA-N. The full InChI is InChI=1S/C15H18F2N4O2/c1-8(4-10-5-9(2)20-21-10)18-15(22)19-13-6-12(17)14(23-3)7-11(13)16/h5-8H,4H2,1-3H3,(H,20,21)(H2,18,19,22)/t8-/m1/s1.

What are the key properties of 1-(2,5-difluoro-4-methoxyphenyl)-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea?

1-(2,5-difluoro-4-methoxyphenyl)-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea has a molecular weight of 324.33 g/mol, XLogP of 2.76, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,5-difluoro-4-methoxyphenyl)-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea is sourced from PubChem (CID 99716281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).