[2-[(3R)-3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 3-pyrazol-1-ylpropanoate

C28H26N4O4 — CID 41103678

About [2-[(3R)-3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 3-pyrazol-1-ylpropanoate

[2-[(3R)-3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 3-pyrazol-1-ylpropanoate (PubChem CID 41103678) has the molecular formula C28H26N4O4 and a molecular weight of 482.54 g/mol. Its IUPAC name is [2-[(3R)-3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 3-pyrazol-1-ylpropanoate.

Molecular Properties

• Compound Name: [2-[(3R)-3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 3-pyrazol-1-ylpropanoate
• PubChem CID: 41103678
• Molecular Formula: C28H26N4O4
• Molecular Weight: 482.54 g/mol
• Exact Mass: 482.20
• IUPAC Name: [2-[(3R)-3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 3-pyrazol-1-ylpropanoate
• SMILES: COc1ccc([C@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)COC(=O)CCn2cccn2)cc1
• InChI: InChI=1S/C28H26N4O4/c1-35-24-11-9-21(10-12-24)26-18-25(23-8-7-20-5-2-3-6-22(20)17-23)30-32(26)27(33)19-36-28(34)13-16-31-15-4-14-29-31/h2-12,14-15,17,26H,13,16,18-19H2,1H3/t26-/m1/s1
• InChIKey: QMQSPBGGGHOSBQ-AREMUKBSSA-N
• XLogP: 4.36
• TPSA: 86.02 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.54
LogP ≤ 5	4.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [2-[(3R)-3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 3-pyrazol-1-ylpropanoate?

The IUPAC name of [2-[(3R)-3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 3-pyrazol-1-ylpropanoate (CID 41103678) is [2-[(3R)-3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 3-pyrazol-1-ylpropanoate.

What is the SMILES notation for [2-[(3R)-3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 3-pyrazol-1-ylpropanoate?

The canonical SMILES for [2-[(3R)-3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 3-pyrazol-1-ylpropanoate is COc1ccc([C@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)COC(=O)CCn2cccn2)cc1.

What is the InChIKey of [2-[(3R)-3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 3-pyrazol-1-ylpropanoate?

The InChIKey is QMQSPBGGGHOSBQ-AREMUKBSSA-N. The full InChI is InChI=1S/C28H26N4O4/c1-35-24-11-9-21(10-12-24)26-18-25(23-8-7-20-5-2-3-6-22(20)17-23)30-32(26)27(33)19-36-28(34)13-16-31-15-4-14-29-31/h2-12,14-15,17,26H,13,16,18-19H2,1H3/t26-/m1/s1.

What are the key properties of [2-[(3R)-3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 3-pyrazol-1-ylpropanoate?

[2-[(3R)-3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 3-pyrazol-1-ylpropanoate has a molecular weight of 482.54 g/mol, XLogP of 4.36, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(3R)-3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 3-pyrazol-1-ylpropanoate is sourced from PubChem (CID 41103678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).