5-(2,6-dimethoxyphenyl)-N-[(3S)-1-(2-hydroxyethylamino)-5-methyl-1-oxohexan-3-yl]-1-(3-methylbutan-2-yl)pyrazole-3-carboxamide;5-(2,6-dimethoxyphenyl)-N-[(3S)-1-(2-hydroxyethylamino)-5-methyl-1-oxohexan-3-yl]-1-(2-methylpropyl)pyrazole-3-carboxamide

C51H78N8O10 — CID 158007352

About 5-(2,6-dimethoxyphenyl)-N-[(3S)-1-(2-hydroxyethylamino)-5-methyl-1-oxohexan-3-yl]-1-(3-methylbutan-2-yl)pyrazole-3-carboxamide;5-(2,6-dimethoxyphenyl)-N-[(3S)-1-(2-hydroxyethylamino)-5-methyl-1-oxohexan-3-yl]-1-(2-methylpropyl)pyrazole-3-carboxamide

5-(2,6-dimethoxyphenyl)-N-[(3S)-1-(2-hydroxyethylamino)-5-methyl-1-oxohexan-3-yl]-1-(3-methylbutan-2-yl)pyrazole-3-carboxamide;5-(2,6-dimethoxyphenyl)-N-[(3S)-1-(2-hydroxyethylamino)-5-methyl-1-oxohexan-3-yl]-1-(2-methylpropyl)pyrazole-3-carboxamide (PubChem CID 158007352) has the molecular formula C51H78N8O10 and a molecular weight of 963.23 g/mol. Its IUPAC name is 5-(2,6-dimethoxyphenyl)-N-[(3S)-1-(2-hydroxyethylamino)-5-methyl-1-oxohexan-3-yl]-1-(3-methylbutan-2-yl)pyrazole-3-carboxamide;5-(2,6-dimethoxyphenyl)-N-[(3S)-1-(2-hydroxyethylamino)-5-methyl-1-oxohexan-3-yl]-1-(2-methylpropyl)pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-(2,6-dimethoxyphenyl)-N-[(3S)-1-(2-hydroxyethylamino)-5-methyl-1-oxohexan-3-yl]-1-(3-methylbutan-2-yl)pyrazole-3-carboxamide;5-(2,6-dimethoxyphenyl)-N-[(3S)-1-(2-hydroxyethylamino)-5-methyl-1-oxohexan-3-yl]-1-(2-methylpropyl)pyrazole-3-carboxamide
• PubChem CID: 158007352
• Molecular Formula: C51H78N8O10
• Molecular Weight: 963.23 g/mol
• Exact Mass: 962.58
• IUPAC Name: 5-(2,6-dimethoxyphenyl)-N-[(3S)-1-(2-hydroxyethylamino)-5-methyl-1-oxohexan-3-yl]-1-(3-methylbutan-2-yl)pyrazole-3-carboxamide;5-(2,6-dimethoxyphenyl)-N-[(3S)-1-(2-hydroxyethylamino)-5-methyl-1-oxohexan-3-yl]-1-(2-methylpropyl)pyrazole-3-carboxamide
• SMILES: COc1cccc(OC)c1-c1cc(C(=O)N[C@H](CC(=O)NCCO)CC(C)C)nn1C(C)C(C)C.COc1cccc(OC)c1-c1cc(C(=O)N[C@H](CC(=O)NCCO)CC(C)C)nn1CC(C)C
• InChI: InChI=1S/C26H40N4O5.C25H38N4O5/c1-16(2)13-19(14-24(32)27-11-12-31)28-26(33)20-15-21(30(29-20)18(5)17(3)4)25-22(34-6)9-8-10-23(25)35-7;1-16(2)12-18(13-23(31)26-10-11-30)27-25(32)19-14-20(29(28-19)15-17(3)4)24-21(33-5)8-7-9-22(24)34-6/h8-10,15-19,31H,11-14H2,1-7H3,(H,27,32)(H,28,33);7-9,14,16-18,30H,10-13,15H2,1-6H3,(H,26,31)(H,27,32)/t18?,19-;18-/m00/s1
• InChIKey: FELNQASVFQOFBR-NPGYVTKRSA-N
• XLogP: 6.29
• TPSA: 229.42 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 14
• Rotatable Bonds: 26
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	963.23
LogP ≤ 5	6.29
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethoxyphenyl)-N-[(3S)-1-(2-hydroxyethylamino)-5-methyl-1-oxohexan-3-yl]-1-(3-methylbutan-2-yl)pyrazole-3-carboxamide;5-(2,6-dimethoxyphenyl)-N-[(3S)-1-(2-hydroxyethylamino)-5-methyl-1-oxohexan-3-yl]-1-(2-methylpropyl)pyrazole-3-carboxamide?

The IUPAC name of 5-(2,6-dimethoxyphenyl)-N-[(3S)-1-(2-hydroxyethylamino)-5-methyl-1-oxohexan-3-yl]-1-(3-methylbutan-2-yl)pyrazole-3-carboxamide;5-(2,6-dimethoxyphenyl)-N-[(3S)-1-(2-hydroxyethylamino)-5-methyl-1-oxohexan-3-yl]-1-(2-methylpropyl)pyrazole-3-carboxamide (CID 158007352) is 5-(2,6-dimethoxyphenyl)-N-[(3S)-1-(2-hydroxyethylamino)-5-methyl-1-oxohexan-3-yl]-1-(3-methylbutan-2-yl)pyrazole-3-carboxamide;5-(2,6-dimethoxyphenyl)-N-[(3S)-1-(2-hydroxyethylamino)-5-methyl-1-oxohexan-3-yl]-1-(2-methylpropyl)pyrazole-3-carboxamide.

What is the SMILES notation for 5-(2,6-dimethoxyphenyl)-N-[(3S)-1-(2-hydroxyethylamino)-5-methyl-1-oxohexan-3-yl]-1-(3-methylbutan-2-yl)pyrazole-3-carboxamide;5-(2,6-dimethoxyphenyl)-N-[(3S)-1-(2-hydroxyethylamino)-5-methyl-1-oxohexan-3-yl]-1-(2-methylpropyl)pyrazole-3-carboxamide?

The canonical SMILES for 5-(2,6-dimethoxyphenyl)-N-[(3S)-1-(2-hydroxyethylamino)-5-methyl-1-oxohexan-3-yl]-1-(3-methylbutan-2-yl)pyrazole-3-carboxamide;5-(2,6-dimethoxyphenyl)-N-[(3S)-1-(2-hydroxyethylamino)-5-methyl-1-oxohexan-3-yl]-1-(2-methylpropyl)pyrazole-3-carboxamide is COc1cccc(OC)c1-c1cc(C(=O)N[C@H](CC(=O)NCCO)CC(C)C)nn1C(C)C(C)C.COc1cccc(OC)c1-c1cc(C(=O)N[C@H](CC(=O)NCCO)CC(C)C)nn1CC(C)C.

What is the InChIKey of 5-(2,6-dimethoxyphenyl)-N-[(3S)-1-(2-hydroxyethylamino)-5-methyl-1-oxohexan-3-yl]-1-(3-methylbutan-2-yl)pyrazole-3-carboxamide;5-(2,6-dimethoxyphenyl)-N-[(3S)-1-(2-hydroxyethylamino)-5-methyl-1-oxohexan-3-yl]-1-(2-methylpropyl)pyrazole-3-carboxamide?

The InChIKey is FELNQASVFQOFBR-NPGYVTKRSA-N. The full InChI is InChI=1S/C26H40N4O5.C25H38N4O5/c1-16(2)13-19(14-24(32)27-11-12-31)28-26(33)20-15-21(30(29-20)18(5)17(3)4)25-22(34-6)9-8-10-23(25)35-7;1-16(2)12-18(13-23(31)26-10-11-30)27-25(32)19-14-20(29(28-19)15-17(3)4)24-21(33-5)8-7-9-22(24)34-6/h8-10,15-19,31H,11-14H2,1-7H3,(H,27,32)(H,28,33);7-9,14,16-18,30H,10-13,15H2,1-6H3,(H,26,31)(H,27,32)/t18?,19-;18-/m00/s1.

What are the key properties of 5-(2,6-dimethoxyphenyl)-N-[(3S)-1-(2-hydroxyethylamino)-5-methyl-1-oxohexan-3-yl]-1-(3-methylbutan-2-yl)pyrazole-3-carboxamide;5-(2,6-dimethoxyphenyl)-N-[(3S)-1-(2-hydroxyethylamino)-5-methyl-1-oxohexan-3-yl]-1-(2-methylpropyl)pyrazole-3-carboxamide?

5-(2,6-dimethoxyphenyl)-N-[(3S)-1-(2-hydroxyethylamino)-5-methyl-1-oxohexan-3-yl]-1-(3-methylbutan-2-yl)pyrazole-3-carboxamide;5-(2,6-dimethoxyphenyl)-N-[(3S)-1-(2-hydroxyethylamino)-5-methyl-1-oxohexan-3-yl]-1-(2-methylpropyl)pyrazole-3-carboxamide has a molecular weight of 963.23 g/mol, XLogP of 6.29, 26 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2,6-dimethoxyphenyl)-N-[(3S)-1-(2-hydroxyethylamino)-5-methyl-1-oxohexan-3-yl]-1-(3-methylbutan-2-yl)pyrazole-3-carboxamide;5-(2,6-dimethoxyphenyl)-N-[(3S)-1-(2-hydroxyethylamino)-5-methyl-1-oxohexan-3-yl]-1-(2-methylpropyl)pyrazole-3-carboxamide is sourced from PubChem (CID 158007352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).