1-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone

C26H28N4O4 — CID 46801123

About 1-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone

1-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone (PubChem CID 46801123) has the molecular formula C26H28N4O4 and a molecular weight of 460.53 g/mol. Its IUPAC name is 1-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone
• PubChem CID: 46801123
• Molecular Formula: C26H28N4O4
• Molecular Weight: 460.53 g/mol
• Exact Mass: 460.21
• IUPAC Name: 1-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone
• SMILES: COc1ccc(C2=NN(C(=O)CN3CCN(c4ccccc4O)CC3)C(c3ccco3)C2)cc1
• InChI: InChI=1S/C26H28N4O4/c1-33-20-10-8-19(9-11-20)21-17-23(25-7-4-16-34-25)30(27-21)26(32)18-28-12-14-29(15-13-28)22-5-2-3-6-24(22)31/h2-11,16,23,31H,12-15,17-18H2,1H3
• InChIKey: IWHZCHYBXTUIII-UHFFFAOYSA-N
• XLogP: 3.49
• TPSA: 81.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.53
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone?

The IUPAC name of 1-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone (CID 46801123) is 1-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone.

What is the SMILES notation for 1-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone?

The canonical SMILES for 1-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone is COc1ccc(C2=NN(C(=O)CN3CCN(c4ccccc4O)CC3)C(c3ccco3)C2)cc1.

What is the InChIKey of 1-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone?

The InChIKey is IWHZCHYBXTUIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O4/c1-33-20-10-8-19(9-11-20)21-17-23(25-7-4-16-34-25)30(27-21)26(32)18-28-12-14-29(15-13-28)22-5-2-3-6-24(22)31/h2-11,16,23,31H,12-15,17-18H2,1H3.

What are the key properties of 1-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone?

1-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone has a molecular weight of 460.53 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 46801123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).