N-[2-[2-[[3-(6-tert-butyl-7-chloro-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-2,3-dimethylbutan-2-yl]amino]-2-oxoethoxy]phenyl]-2-methylpropanamide;N-[3-(6-tert-butyl-7-chloro-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-2,3-dimethylbutan-2-yl]-2-[2-(2-methylpropanoylamino)phenoxy]decanamide;N-[3-(6-tert-butyl-7-chloro-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-2,3-dimethylbutan-2-yl]-2-[2-(2-methylpropanoylamino)phenoxy]tetradecanamide

C98H151Cl3N18O9 — CID 91593173

About N-[2-[2-[[3-(6-tert-butyl-7-chloro-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-2,3-dimethylbutan-2-yl]amino]-2-oxoethoxy]phenyl]-2-methylpropanamide;N-[3-(6-tert-butyl-7-chloro-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-2,3-dimethylbutan-2-yl]-2-[2-(2-methylpropanoylamino)phenoxy]decanamide;N-[3-(6-tert-butyl-7-chloro-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-2,3-dimethylbutan-2-yl]-2-[2-(2-methylpropanoylamino)phenoxy]tetradecanamide

N-[2-[2-[[3-(6-tert-butyl-7-chloro-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-2,3-dimethylbutan-2-yl]amino]-2-oxoethoxy]phenyl]-2-methylpropanamide;N-[3-(6-tert-butyl-7-chloro-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-2,3-dimethylbutan-2-yl]-2-[2-(2-methylpropanoylamino)phenoxy]decanamide;N-[3-(6-tert-butyl-7-chloro-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-2,3-dimethylbutan-2-yl]-2-[2-(2-methylpropanoylamino)phenoxy]tetradecanamide (PubChem CID 91593173) has the molecular formula C98H151Cl3N18O9 and a molecular weight of 1831.76 g/mol. Its IUPAC name is N-[2-[2-[[3-(6-tert-butyl-7-chloro-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-2,3-dimethylbutan-2-yl]amino]-2-oxoethoxy]phenyl]-2-methylpropanamide;N-[3-(6-tert-butyl-7-chloro-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-2,3-dimethylbutan-2-yl]-2-[2-(2-methylpropanoylamino)phenoxy]decanamide;N-[3-(6-tert-butyl-7-chloro-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-2,3-dimethylbutan-2-yl]-2-[2-(2-methylpropanoylamino)phenoxy]tetradecanamide.

Molecular Properties

• Compound Name: N-[2-[2-[[3-(6-tert-butyl-7-chloro-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-2,3-dimethylbutan-2-yl]amino]-2-oxoethoxy]phenyl]-2-methylpropanamide;N-[3-(6-tert-butyl-7-chloro-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-2,3-dimethylbutan-2-yl]-2-[2-(2-methylpropanoylamino)phenoxy]decanamide;N-[3-(6-tert-butyl-7-chloro-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-2,3-dimethylbutan-2-yl]-2-[2-(2-methylpropanoylamino)phenoxy]tetradecanamide
• PubChem CID: 91593173
• Molecular Formula: C98H151Cl3N18O9
• Molecular Weight: 1831.76 g/mol
• Exact Mass: 1829.10
• IUPAC Name: N-[2-[2-[[3-(6-tert-butyl-7-chloro-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-2,3-dimethylbutan-2-yl]amino]-2-oxoethoxy]phenyl]-2-methylpropanamide;N-[3-(6-tert-butyl-7-chloro-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-2,3-dimethylbutan-2-yl]-2-[2-(2-methylpropanoylamino)phenoxy]decanamide;N-[3-(6-tert-butyl-7-chloro-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-2,3-dimethylbutan-2-yl]-2-[2-(2-methylpropanoylamino)phenoxy]tetradecanamide
• SMILES: CC(C)C(=O)Nc1ccccc1OCC(=O)NC(C)(C)C(C)(C)c1nnc2c(Cl)c(C(C)(C)C)[nH]n12.CCCCCCCCC(Oc1ccccc1NC(=O)C(C)C)C(=O)NC(C)(C)C(C)(C)c1nnc2c(Cl)c(C(C)(C)C)[nH]n12.CCCCCCCCCCCCC(Oc1ccccc1NC(=O)C(C)C)C(=O)NC(C)(C)C(C)(C)c1nnc2c(Cl)c(C(C)(C)C)[nH]n12
• InChI: InChI=1S/C38H61ClN6O3.C34H53ClN6O3.C26H37ClN6O3/c1-11-12-13-14-15-16-17-18-19-20-25-29(48-28-24-22-21-23-27(28)40-33(46)26(2)3)34(47)41-38(9,10)37(7,8)35-43-42-32-30(39)31(36(4,5)6)44-45(32)35;1-11-12-13-14-15-16-21-25(44-24-20-18-17-19-23(24)36-29(42)22(2)3)30(43)37-34(9,10)33(7,8)31-39-38-28-26(35)27(32(4,5)6)40-41(28)31;1-15(2)22(35)28-16-12-10-11-13-17(16)36-14-18(34)29-26(8,9)25(6,7)23-31-30-21-19(27)20(24(3,4)5)32-33(21)23/h21-24,26,29,44H,11-20,25H2,1-10H3,(H,40,46)(H,41,47);17-20,22,25,40H,11-16,21H2,1-10H3,(H,36,42)(H,37,43);10-13,15,32H,14H2,1-9H3,(H,28,35)(H,29,34)
• InChIKey: FPUBCALIGAMTJQ-UHFFFAOYSA-N
• XLogP: 22.36
• TPSA: 340.23 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 18
• Rotatable Bonds: 42
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1831.76
LogP ≤ 5	22.36
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[[3-(6-tert-butyl-7-chloro-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-2,3-dimethylbutan-2-yl]amino]-2-oxoethoxy]phenyl]-2-methylpropanamide;N-[3-(6-tert-butyl-7-chloro-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-2,3-dimethylbutan-2-yl]-2-[2-(2-methylpropanoylamino)phenoxy]decanamide;N-[3-(6-tert-butyl-7-chloro-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-2,3-dimethylbutan-2-yl]-2-[2-(2-methylpropanoylamino)phenoxy]tetradecanamide?

The IUPAC name of N-[2-[2-[[3-(6-tert-butyl-7-chloro-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-2,3-dimethylbutan-2-yl]amino]-2-oxoethoxy]phenyl]-2-methylpropanamide;N-[3-(6-tert-butyl-7-chloro-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-2,3-dimethylbutan-2-yl]-2-[2-(2-methylpropanoylamino)phenoxy]decanamide;N-[3-(6-tert-butyl-7-chloro-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-2,3-dimethylbutan-2-yl]-2-[2-(2-methylpropanoylamino)phenoxy]tetradecanamide (CID 91593173) is N-[2-[2-[[3-(6-tert-butyl-7-chloro-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-2,3-dimethylbutan-2-yl]amino]-2-oxoethoxy]phenyl]-2-methylpropanamide;N-[3-(6-tert-butyl-7-chloro-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-2,3-dimethylbutan-2-yl]-2-[2-(2-methylpropanoylamino)phenoxy]decanamide;N-[3-(6-tert-butyl-7-chloro-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-2,3-dimethylbutan-2-yl]-2-[2-(2-methylpropanoylamino)phenoxy]tetradecanamide.

What is the SMILES notation for N-[2-[2-[[3-(6-tert-butyl-7-chloro-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-2,3-dimethylbutan-2-yl]amino]-2-oxoethoxy]phenyl]-2-methylpropanamide;N-[3-(6-tert-butyl-7-chloro-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-2,3-dimethylbutan-2-yl]-2-[2-(2-methylpropanoylamino)phenoxy]decanamide;N-[3-(6-tert-butyl-7-chloro-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-2,3-dimethylbutan-2-yl]-2-[2-(2-methylpropanoylamino)phenoxy]tetradecanamide?

The canonical SMILES for N-[2-[2-[[3-(6-tert-butyl-7-chloro-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-2,3-dimethylbutan-2-yl]amino]-2-oxoethoxy]phenyl]-2-methylpropanamide;N-[3-(6-tert-butyl-7-chloro-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-2,3-dimethylbutan-2-yl]-2-[2-(2-methylpropanoylamino)phenoxy]decanamide;N-[3-(6-tert-butyl-7-chloro-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-2,3-dimethylbutan-2-yl]-2-[2-(2-methylpropanoylamino)phenoxy]tetradecanamide is CC(C)C(=O)Nc1ccccc1OCC(=O)NC(C)(C)C(C)(C)c1nnc2c(Cl)c(C(C)(C)C)[nH]n12.CCCCCCCCC(Oc1ccccc1NC(=O)C(C)C)C(=O)NC(C)(C)C(C)(C)c1nnc2c(Cl)c(C(C)(C)C)[nH]n12.CCCCCCCCCCCCC(Oc1ccccc1NC(=O)C(C)C)C(=O)NC(C)(C)C(C)(C)c1nnc2c(Cl)c(C(C)(C)C)[nH]n12.

What is the InChIKey of N-[2-[2-[[3-(6-tert-butyl-7-chloro-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-2,3-dimethylbutan-2-yl]amino]-2-oxoethoxy]phenyl]-2-methylpropanamide;N-[3-(6-tert-butyl-7-chloro-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-2,3-dimethylbutan-2-yl]-2-[2-(2-methylpropanoylamino)phenoxy]decanamide;N-[3-(6-tert-butyl-7-chloro-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-2,3-dimethylbutan-2-yl]-2-[2-(2-methylpropanoylamino)phenoxy]tetradecanamide?

The InChIKey is FPUBCALIGAMTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H61ClN6O3.C34H53ClN6O3.C26H37ClN6O3/c1-11-12-13-14-15-16-17-18-19-20-25-29(48-28-24-22-21-23-27(28)40-33(46)26(2)3)34(47)41-38(9,10)37(7,8)35-43-42-32-30(39)31(36(4,5)6)44-45(32)35;1-11-12-13-14-15-16-21-25(44-24-20-18-17-19-23(24)36-29(42)22(2)3)30(43)37-34(9,10)33(7,8)31-39-38-28-26(35)27(32(4,5)6)40-41(28)31;1-15(2)22(35)28-16-12-10-11-13-17(16)36-14-18(34)29-26(8,9)25(6,7)23-31-30-21-19(27)20(24(3,4)5)32-33(21)23/h21-24,26,29,44H,11-20,25H2,1-10H3,(H,40,46)(H,41,47);17-20,22,25,40H,11-16,21H2,1-10H3,(H,36,42)(H,37,43);10-13,15,32H,14H2,1-9H3,(H,28,35)(H,29,34).

What are the key properties of N-[2-[2-[[3-(6-tert-butyl-7-chloro-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-2,3-dimethylbutan-2-yl]amino]-2-oxoethoxy]phenyl]-2-methylpropanamide;N-[3-(6-tert-butyl-7-chloro-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-2,3-dimethylbutan-2-yl]-2-[2-(2-methylpropanoylamino)phenoxy]decanamide;N-[3-(6-tert-butyl-7-chloro-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-2,3-dimethylbutan-2-yl]-2-[2-(2-methylpropanoylamino)phenoxy]tetradecanamide?

N-[2-[2-[[3-(6-tert-butyl-7-chloro-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-2,3-dimethylbutan-2-yl]amino]-2-oxoethoxy]phenyl]-2-methylpropanamide;N-[3-(6-tert-butyl-7-chloro-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-2,3-dimethylbutan-2-yl]-2-[2-(2-methylpropanoylamino)phenoxy]decanamide;N-[3-(6-tert-butyl-7-chloro-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-2,3-dimethylbutan-2-yl]-2-[2-(2-methylpropanoylamino)phenoxy]tetradecanamide has a molecular weight of 1831.76 g/mol, XLogP of 22.36, 42 rotatable bonds, 9 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[[3-(6-tert-butyl-7-chloro-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-2,3-dimethylbutan-2-yl]amino]-2-oxoethoxy]phenyl]-2-methylpropanamide;N-[3-(6-tert-butyl-7-chloro-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-2,3-dimethylbutan-2-yl]-2-[2-(2-methylpropanoylamino)phenoxy]decanamide;N-[3-(6-tert-butyl-7-chloro-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-2,3-dimethylbutan-2-yl]-2-[2-(2-methylpropanoylamino)phenoxy]tetradecanamide is sourced from PubChem (CID 91593173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).