5-(2,6-dimethoxyphenyl)-1-(3-methylbutan-2-yl)-N-[4-methyl-1-oxo-1-(propylamino)pentan-3-yl]pyrazole-3-carboxamide

C26H40N4O4 — CID 122414366

About 5-(2,6-dimethoxyphenyl)-1-(3-methylbutan-2-yl)-N-[4-methyl-1-oxo-1-(propylamino)pentan-3-yl]pyrazole-3-carboxamide

5-(2,6-dimethoxyphenyl)-1-(3-methylbutan-2-yl)-N-[4-methyl-1-oxo-1-(propylamino)pentan-3-yl]pyrazole-3-carboxamide (PubChem CID 122414366) has the molecular formula C26H40N4O4 and a molecular weight of 472.63 g/mol. Its IUPAC name is 5-(2,6-dimethoxyphenyl)-1-(3-methylbutan-2-yl)-N-[4-methyl-1-oxo-1-(propylamino)pentan-3-yl]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-(2,6-dimethoxyphenyl)-1-(3-methylbutan-2-yl)-N-[4-methyl-1-oxo-1-(propylamino)pentan-3-yl]pyrazole-3-carboxamide
• PubChem CID: 122414366
• Molecular Formula: C26H40N4O4
• Molecular Weight: 472.63 g/mol
• Exact Mass: 472.30
• IUPAC Name: 5-(2,6-dimethoxyphenyl)-1-(3-methylbutan-2-yl)-N-[4-methyl-1-oxo-1-(propylamino)pentan-3-yl]pyrazole-3-carboxamide
• SMILES: CCCNC(=O)CC(NC(=O)c1cc(-c2c(OC)cccc2OC)n(C(C)C(C)C)n1)C(C)C
• InChI: InChI=1S/C26H40N4O4/c1-9-13-27-24(31)15-19(17(4)5)28-26(32)20-14-21(30(29-20)18(6)16(2)3)25-22(33-7)11-10-12-23(25)34-8/h10-12,14,16-19H,9,13,15H2,1-8H3,(H,27,31)(H,28,32)
• InChIKey: BBRREHCNYIVYLZ-UHFFFAOYSA-N
• XLogP: 4.45
• TPSA: 94.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.63
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethoxyphenyl)-1-(3-methylbutan-2-yl)-N-[4-methyl-1-oxo-1-(propylamino)pentan-3-yl]pyrazole-3-carboxamide?

The IUPAC name of 5-(2,6-dimethoxyphenyl)-1-(3-methylbutan-2-yl)-N-[4-methyl-1-oxo-1-(propylamino)pentan-3-yl]pyrazole-3-carboxamide (CID 122414366) is 5-(2,6-dimethoxyphenyl)-1-(3-methylbutan-2-yl)-N-[4-methyl-1-oxo-1-(propylamino)pentan-3-yl]pyrazole-3-carboxamide.

What is the SMILES notation for 5-(2,6-dimethoxyphenyl)-1-(3-methylbutan-2-yl)-N-[4-methyl-1-oxo-1-(propylamino)pentan-3-yl]pyrazole-3-carboxamide?

The canonical SMILES for 5-(2,6-dimethoxyphenyl)-1-(3-methylbutan-2-yl)-N-[4-methyl-1-oxo-1-(propylamino)pentan-3-yl]pyrazole-3-carboxamide is CCCNC(=O)CC(NC(=O)c1cc(-c2c(OC)cccc2OC)n(C(C)C(C)C)n1)C(C)C.

What is the InChIKey of 5-(2,6-dimethoxyphenyl)-1-(3-methylbutan-2-yl)-N-[4-methyl-1-oxo-1-(propylamino)pentan-3-yl]pyrazole-3-carboxamide?

The InChIKey is BBRREHCNYIVYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N4O4/c1-9-13-27-24(31)15-19(17(4)5)28-26(32)20-14-21(30(29-20)18(6)16(2)3)25-22(33-7)11-10-12-23(25)34-8/h10-12,14,16-19H,9,13,15H2,1-8H3,(H,27,31)(H,28,32).

What are the key properties of 5-(2,6-dimethoxyphenyl)-1-(3-methylbutan-2-yl)-N-[4-methyl-1-oxo-1-(propylamino)pentan-3-yl]pyrazole-3-carboxamide?

5-(2,6-dimethoxyphenyl)-1-(3-methylbutan-2-yl)-N-[4-methyl-1-oxo-1-(propylamino)pentan-3-yl]pyrazole-3-carboxamide has a molecular weight of 472.63 g/mol, XLogP of 4.45, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2,6-dimethoxyphenyl)-1-(3-methylbutan-2-yl)-N-[4-methyl-1-oxo-1-(propylamino)pentan-3-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 122414366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).