4-[2-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]benzamide

C23H21N3O5 — CID 7931449

About 4-[2-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]benzamide

4-[2-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]benzamide (PubChem CID 7931449) has the molecular formula C23H21N3O5 and a molecular weight of 419.44 g/mol. Its IUPAC name is 4-[2-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]benzamide.

Molecular Properties

• Compound Name: 4-[2-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]benzamide
• PubChem CID: 7931449
• Molecular Formula: C23H21N3O5
• Molecular Weight: 419.44 g/mol
• Exact Mass: 419.15
• IUPAC Name: 4-[2-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]benzamide
• SMILES: COc1ccc(C2=NN(C(=O)COc3ccc(C(N)=O)cc3)[C@@H](c3ccco3)C2)cc1
• InChI: InChI=1S/C23H21N3O5/c1-29-17-8-4-15(5-9-17)19-13-20(21-3-2-12-30-21)26(25-19)22(27)14-31-18-10-6-16(7-11-18)23(24)28/h2-12,20H,13-14H2,1H3,(H2,24,28)/t20-/m1/s1
• InChIKey: NGXXBLYGSXFGOZ-HXUWFJFHSA-N
• XLogP: 3.14
• TPSA: 107.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.44
LogP ≤ 5	3.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]benzamide?

The IUPAC name of 4-[2-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]benzamide (CID 7931449) is 4-[2-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]benzamide.

What is the SMILES notation for 4-[2-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]benzamide?

The canonical SMILES for 4-[2-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]benzamide is COc1ccc(C2=NN(C(=O)COc3ccc(C(N)=O)cc3)[C@@H](c3ccco3)C2)cc1.

What is the InChIKey of 4-[2-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]benzamide?

The InChIKey is NGXXBLYGSXFGOZ-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H21N3O5/c1-29-17-8-4-15(5-9-17)19-13-20(21-3-2-12-30-21)26(25-19)22(27)14-31-18-10-6-16(7-11-18)23(24)28/h2-12,20H,13-14H2,1H3,(H2,24,28)/t20-/m1/s1.

What are the key properties of 4-[2-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]benzamide?

4-[2-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]benzamide has a molecular weight of 419.44 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]benzamide is sourced from PubChem (CID 7931449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).