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

C30H32N4O3 — CID 1056466

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

N-[2-[[1-(4-methoxyphenyl)-3-methyl-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-2-phenyl-N-propan-2-ylacetamide (PubChem CID 1056466) has the molecular formula C30H32N4O3 and a molecular weight of 496.61 g/mol. Its IUPAC name is N-[2-[[1-(4-methoxyphenyl)-3-methyl-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-2-phenyl-N-propan-2-ylacetamide.

Molecular Properties

• Compound Name: N-[2-[[1-(4-methoxyphenyl)-3-methyl-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-2-phenyl-N-propan-2-ylacetamide
• PubChem CID: 1056466
• Molecular Formula: C30H32N4O3
• Molecular Weight: 496.61 g/mol
• Exact Mass: 496.25
• IUPAC Name: N-[2-[[1-(4-methoxyphenyl)-3-methyl-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-2-phenyl-N-propan-2-ylacetamide
• SMILES: COc1ccc(-n2nc(C)c(-c3ccccc3)c2NC(=O)CN(C(=O)Cc2ccccc2)C(C)C)cc1
• InChI: InChI=1S/C30H32N4O3/c1-21(2)33(28(36)19-23-11-7-5-8-12-23)20-27(35)31-30-29(24-13-9-6-10-14-24)22(3)32-34(30)25-15-17-26(37-4)18-16-25/h5-18,21H,19-20H2,1-4H3,(H,31,35)
• InChIKey: AHUKJSWZBPUTKB-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 N-[2-[[1-(4-methoxyphenyl)-3-methyl-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-2-phenyl-N-propan-2-ylacetamide?

The IUPAC name of N-[2-[[1-(4-methoxyphenyl)-3-methyl-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-2-phenyl-N-propan-2-ylacetamide (CID 1056466) is N-[2-[[1-(4-methoxyphenyl)-3-methyl-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-2-phenyl-N-propan-2-ylacetamide.

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

The canonical SMILES for N-[2-[[1-(4-methoxyphenyl)-3-methyl-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-2-phenyl-N-propan-2-ylacetamide is COc1ccc(-n2nc(C)c(-c3ccccc3)c2NC(=O)CN(C(=O)Cc2ccccc2)C(C)C)cc1.

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

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

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

N-[2-[[1-(4-methoxyphenyl)-3-methyl-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-2-phenyl-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 N-[2-[[1-(4-methoxyphenyl)-3-methyl-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-2-phenyl-N-propan-2-ylacetamide is sourced from PubChem (CID 1056466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).