3-(2-methoxyphenyl)-1-methyl-1-[2-oxo-2-[(3R)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethyl]urea

C24H24N4O3S — CID 93131631

About 3-(2-methoxyphenyl)-1-methyl-1-[2-oxo-2-[(3R)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethyl]urea

3-(2-methoxyphenyl)-1-methyl-1-[2-oxo-2-[(3R)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethyl]urea (PubChem CID 93131631) has the molecular formula C24H24N4O3S and a molecular weight of 448.55 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-1-methyl-1-[2-oxo-2-[(3R)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethyl]urea.

Molecular Properties

• Compound Name: 3-(2-methoxyphenyl)-1-methyl-1-[2-oxo-2-[(3R)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethyl]urea
• PubChem CID: 93131631
• Molecular Formula: C24H24N4O3S
• Molecular Weight: 448.55 g/mol
• Exact Mass: 448.16
• IUPAC Name: 3-(2-methoxyphenyl)-1-methyl-1-[2-oxo-2-[(3R)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethyl]urea
• SMILES: COc1ccccc1NC(=O)N(C)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccccc1
• InChI: InChI=1S/C24H24N4O3S/c1-27(24(30)25-18-11-6-7-12-21(18)31-2)16-23(29)28-20(17-9-4-3-5-10-17)15-19(26-28)22-13-8-14-32-22/h3-14,20H,15-16H2,1-2H3,(H,25,30)/t20-/m1/s1
• InChIKey: LJXLDTRDSKKCQQ-HXUWFJFHSA-N
• XLogP: 4.60
• TPSA: 74.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.55
LogP ≤ 5	4.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-1-methyl-1-[2-oxo-2-[(3R)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethyl]urea?

The IUPAC name of 3-(2-methoxyphenyl)-1-methyl-1-[2-oxo-2-[(3R)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethyl]urea (CID 93131631) is 3-(2-methoxyphenyl)-1-methyl-1-[2-oxo-2-[(3R)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethyl]urea.

What is the SMILES notation for 3-(2-methoxyphenyl)-1-methyl-1-[2-oxo-2-[(3R)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethyl]urea?

The canonical SMILES for 3-(2-methoxyphenyl)-1-methyl-1-[2-oxo-2-[(3R)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethyl]urea is COc1ccccc1NC(=O)N(C)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccccc1.

What is the InChIKey of 3-(2-methoxyphenyl)-1-methyl-1-[2-oxo-2-[(3R)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethyl]urea?

The InChIKey is LJXLDTRDSKKCQQ-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H24N4O3S/c1-27(24(30)25-18-11-6-7-12-21(18)31-2)16-23(29)28-20(17-9-4-3-5-10-17)15-19(26-28)22-13-8-14-32-22/h3-14,20H,15-16H2,1-2H3,(H,25,30)/t20-/m1/s1.

What are the key properties of 3-(2-methoxyphenyl)-1-methyl-1-[2-oxo-2-[(3R)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethyl]urea?

3-(2-methoxyphenyl)-1-methyl-1-[2-oxo-2-[(3R)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethyl]urea has a molecular weight of 448.55 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-methoxyphenyl)-1-methyl-1-[2-oxo-2-[(3R)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethyl]urea is sourced from PubChem (CID 93131631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).