2-[[2-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-propan-2-ylamino]acetamide

C27H30N4O3 — CID 17411276

About 2-[[2-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-propan-2-ylamino]acetamide

2-[[2-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-propan-2-ylamino]acetamide (PubChem CID 17411276) has the molecular formula C27H30N4O3 and a molecular weight of 458.56 g/mol. Its IUPAC name is 2-[[2-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-propan-2-ylamino]acetamide.

Molecular Properties

• Compound Name: 2-[[2-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-propan-2-ylamino]acetamide
• PubChem CID: 17411276
• Molecular Formula: C27H30N4O3
• Molecular Weight: 458.56 g/mol
• Exact Mass: 458.23
• IUPAC Name: 2-[[2-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-propan-2-ylamino]acetamide
• SMILES: COc1ccc(C2CC(c3ccc4ccccc4c3)=NN2C(=O)CN(CC(N)=O)C(C)C)cc1
• InChI: InChI=1S/C27H30N4O3/c1-18(2)30(16-26(28)32)17-27(33)31-25(20-10-12-23(34-3)13-11-20)15-24(29-31)22-9-8-19-6-4-5-7-21(19)14-22/h4-14,18,25H,15-17H2,1-3H3,(H2,28,32)
• InChIKey: XSFPRKVWLCTXOB-UHFFFAOYSA-N
• XLogP: 3.72
• TPSA: 88.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.56
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-propan-2-ylamino]acetamide?

The IUPAC name of 2-[[2-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-propan-2-ylamino]acetamide (CID 17411276) is 2-[[2-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-propan-2-ylamino]acetamide.

What is the SMILES notation for 2-[[2-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-propan-2-ylamino]acetamide?

The canonical SMILES for 2-[[2-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-propan-2-ylamino]acetamide is COc1ccc(C2CC(c3ccc4ccccc4c3)=NN2C(=O)CN(CC(N)=O)C(C)C)cc1.

What is the InChIKey of 2-[[2-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-propan-2-ylamino]acetamide?

The InChIKey is XSFPRKVWLCTXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O3/c1-18(2)30(16-26(28)32)17-27(33)31-25(20-10-12-23(34-3)13-11-20)15-24(29-31)22-9-8-19-6-4-5-7-21(19)14-22/h4-14,18,25H,15-17H2,1-3H3,(H2,28,32).

What are the key properties of 2-[[2-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-propan-2-ylamino]acetamide?

2-[[2-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-propan-2-ylamino]acetamide has a molecular weight of 458.56 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-propan-2-ylamino]acetamide is sourced from PubChem (CID 17411276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).