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

C51H76N10O10 — CID 158660241

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

N-[(3S)-1-[(2-amino-2-oxoethyl)amino]-5-methyl-1-oxohexan-3-yl]-5-(2,6-dimethoxyphenyl)-1-(3-methylbutan-2-yl)pyrazole-3-carboxamide;N-[(3S)-1-[(2-amino-2-oxoethyl)amino]-5-methyl-1-oxohexan-3-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylpropyl)pyrazole-3-carboxamide (PubChem CID 158660241) has the molecular formula C51H76N10O10 and a molecular weight of 989.23 g/mol. Its IUPAC name is N-[(3S)-1-[(2-amino-2-oxoethyl)amino]-5-methyl-1-oxohexan-3-yl]-5-(2,6-dimethoxyphenyl)-1-(3-methylbutan-2-yl)pyrazole-3-carboxamide;N-[(3S)-1-[(2-amino-2-oxoethyl)amino]-5-methyl-1-oxohexan-3-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylpropyl)pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(3S)-1-[(2-amino-2-oxoethyl)amino]-5-methyl-1-oxohexan-3-yl]-5-(2,6-dimethoxyphenyl)-1-(3-methylbutan-2-yl)pyrazole-3-carboxamide;N-[(3S)-1-[(2-amino-2-oxoethyl)amino]-5-methyl-1-oxohexan-3-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylpropyl)pyrazole-3-carboxamide
• PubChem CID: 158660241
• Molecular Formula: C51H76N10O10
• Molecular Weight: 989.23 g/mol
• Exact Mass: 988.57
• IUPAC Name: N-[(3S)-1-[(2-amino-2-oxoethyl)amino]-5-methyl-1-oxohexan-3-yl]-5-(2,6-dimethoxyphenyl)-1-(3-methylbutan-2-yl)pyrazole-3-carboxamide;N-[(3S)-1-[(2-amino-2-oxoethyl)amino]-5-methyl-1-oxohexan-3-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylpropyl)pyrazole-3-carboxamide
• SMILES: COc1cccc(OC)c1-c1cc(C(=O)N[C@H](CC(=O)NCC(N)=O)CC(C)C)nn1C(C)C(C)C.COc1cccc(OC)c1-c1cc(C(=O)N[C@H](CC(=O)NCC(N)=O)CC(C)C)nn1CC(C)C
• InChI: InChI=1S/C26H39N5O5.C25H37N5O5/c1-15(2)11-18(12-24(33)28-14-23(27)32)29-26(34)19-13-20(31(30-19)17(5)16(3)4)25-21(35-6)9-8-10-22(25)36-7;1-15(2)10-17(11-23(32)27-13-22(26)31)28-25(33)18-12-19(30(29-18)14-16(3)4)24-20(34-5)8-7-9-21(24)35-6/h8-10,13,15-18H,11-12,14H2,1-7H3,(H2,27,32)(H,28,33)(H,29,34);7-9,12,15-17H,10-11,13-14H2,1-6H3,(H2,26,31)(H,27,32)(H,28,33)/t17?,18-;17-/m00/s1
• InChIKey: ICQXAHQRTFEAIT-AVFVFTOSSA-N
• XLogP: 5.28
• TPSA: 275.14 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 14
• Rotatable Bonds: 26
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	989.23
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

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

The IUPAC name of N-[(3S)-1-[(2-amino-2-oxoethyl)amino]-5-methyl-1-oxohexan-3-yl]-5-(2,6-dimethoxyphenyl)-1-(3-methylbutan-2-yl)pyrazole-3-carboxamide;N-[(3S)-1-[(2-amino-2-oxoethyl)amino]-5-methyl-1-oxohexan-3-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylpropyl)pyrazole-3-carboxamide (CID 158660241) is N-[(3S)-1-[(2-amino-2-oxoethyl)amino]-5-methyl-1-oxohexan-3-yl]-5-(2,6-dimethoxyphenyl)-1-(3-methylbutan-2-yl)pyrazole-3-carboxamide;N-[(3S)-1-[(2-amino-2-oxoethyl)amino]-5-methyl-1-oxohexan-3-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylpropyl)pyrazole-3-carboxamide.

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

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

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

The InChIKey is ICQXAHQRTFEAIT-AVFVFTOSSA-N. The full InChI is InChI=1S/C26H39N5O5.C25H37N5O5/c1-15(2)11-18(12-24(33)28-14-23(27)32)29-26(34)19-13-20(31(30-19)17(5)16(3)4)25-21(35-6)9-8-10-22(25)36-7;1-15(2)10-17(11-23(32)27-13-22(26)31)28-25(33)18-12-19(30(29-18)14-16(3)4)24-20(34-5)8-7-9-21(24)35-6/h8-10,13,15-18H,11-12,14H2,1-7H3,(H2,27,32)(H,28,33)(H,29,34);7-9,12,15-17H,10-11,13-14H2,1-6H3,(H2,26,31)(H,27,32)(H,28,33)/t17?,18-;17-/m00/s1.

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

N-[(3S)-1-[(2-amino-2-oxoethyl)amino]-5-methyl-1-oxohexan-3-yl]-5-(2,6-dimethoxyphenyl)-1-(3-methylbutan-2-yl)pyrazole-3-carboxamide;N-[(3S)-1-[(2-amino-2-oxoethyl)amino]-5-methyl-1-oxohexan-3-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylpropyl)pyrazole-3-carboxamide has a molecular weight of 989.23 g/mol, XLogP of 5.28, 26 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3S)-1-[(2-amino-2-oxoethyl)amino]-5-methyl-1-oxohexan-3-yl]-5-(2,6-dimethoxyphenyl)-1-(3-methylbutan-2-yl)pyrazole-3-carboxamide;N-[(3S)-1-[(2-amino-2-oxoethyl)amino]-5-methyl-1-oxohexan-3-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylpropyl)pyrazole-3-carboxamide is sourced from PubChem (CID 158660241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).