2-(4-methoxyphenyl)-N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylacetamide

C30H32N4O3 — CID 42741085

About 2-(4-methoxyphenyl)-N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylacetamide

2-(4-methoxyphenyl)-N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylacetamide (PubChem CID 42741085) has the molecular formula C30H32N4O3 and a molecular weight of 496.61 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylacetamide.

Molecular Properties

• Compound Name: 2-(4-methoxyphenyl)-N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylacetamide
• PubChem CID: 42741085
• Molecular Formula: C30H32N4O3
• Molecular Weight: 496.61 g/mol
• Exact Mass: 496.25
• IUPAC Name: 2-(4-methoxyphenyl)-N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylacetamide
• SMILES: COc1ccc(CC(=O)N(CC(=O)Nc2cc(-c3ccccc3)nn2-c2ccc(C)cc2)C(C)C)cc1
• InChI: InChI=1S/C30H32N4O3/c1-21(2)33(30(36)18-23-12-16-26(37-4)17-13-23)20-29(35)31-28-19-27(24-8-6-5-7-9-24)32-34(28)25-14-10-22(3)11-15-25/h5-17,19,21H,18,20H2,1-4H3,(H,31,35)
• InChIKey: BWFGUOWOHJGFNX-UHFFFAOYSA-N
• XLogP: 5.27
• TPSA: 76.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	496.61
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylacetamide?

The IUPAC name of 2-(4-methoxyphenyl)-N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylacetamide (CID 42741085) is 2-(4-methoxyphenyl)-N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylacetamide.

What is the SMILES notation for 2-(4-methoxyphenyl)-N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylacetamide?

The canonical SMILES for 2-(4-methoxyphenyl)-N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylacetamide is COc1ccc(CC(=O)N(CC(=O)Nc2cc(-c3ccccc3)nn2-c2ccc(C)cc2)C(C)C)cc1.

What is the InChIKey of 2-(4-methoxyphenyl)-N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylacetamide?

The InChIKey is BWFGUOWOHJGFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O3/c1-21(2)33(30(36)18-23-12-16-26(37-4)17-13-23)20-29(35)31-28-19-27(24-8-6-5-7-9-24)32-34(28)25-14-10-22(3)11-15-25/h5-17,19,21H,18,20H2,1-4H3,(H,31,35).

What are the key properties of 2-(4-methoxyphenyl)-N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylacetamide?

2-(4-methoxyphenyl)-N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylacetamide has a molecular weight of 496.61 g/mol, XLogP of 5.27, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-methoxyphenyl)-N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 42741085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).