N-[(R)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide

C26H27N5O4 — CID 25404983

About N-[(R)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide

N-[(R)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide (PubChem CID 25404983) has the molecular formula C26H27N5O4 and a molecular weight of 473.53 g/mol. Its IUPAC name is N-[(R)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide.

Molecular Properties

• Compound Name: N-[(R)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide
• PubChem CID: 25404983
• Molecular Formula: C26H27N5O4
• Molecular Weight: 473.53 g/mol
• Exact Mass: 473.21
• IUPAC Name: N-[(R)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide
• SMILES: COc1cc(OC)cc([C@@H](NC(=O)C(=O)c2c(C)nn(-c3ccccc3)c2C)c2nccn2C)c1
• InChI: InChI=1S/C26H27N5O4/c1-16-22(17(2)31(29-16)19-9-7-6-8-10-19)24(32)26(33)28-23(25-27-11-12-30(25)3)18-13-20(34-4)15-21(14-18)35-5/h6-15,23H,1-5H3,(H,28,33)/t23-/m1/s1
• InChIKey: SVDWIHRUXCFGMC-HSZRJFAPSA-N
• XLogP: 3.33
• TPSA: 100.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.53
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide?

The IUPAC name of N-[(R)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide (CID 25404983) is N-[(R)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide.

What is the SMILES notation for N-[(R)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide?

The canonical SMILES for N-[(R)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide is COc1cc(OC)cc([C@@H](NC(=O)C(=O)c2c(C)nn(-c3ccccc3)c2C)c2nccn2C)c1.

What is the InChIKey of N-[(R)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide?

The InChIKey is SVDWIHRUXCFGMC-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H27N5O4/c1-16-22(17(2)31(29-16)19-9-7-6-8-10-19)24(32)26(33)28-23(25-27-11-12-30(25)3)18-13-20(34-4)15-21(14-18)35-5/h6-15,23H,1-5H3,(H,28,33)/t23-/m1/s1.

What are the key properties of N-[(R)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide?

N-[(R)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide has a molecular weight of 473.53 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(R)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide is sourced from PubChem (CID 25404983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).