4-[[6-tert-butyl-3-[1-(5-tert-butyl-2-methylphenyl)propan-2-yl]-5H-pyrazolo[5,1-c][1,2,4]triazol-7-yl]oxy]benzamide;6-tert-butyl-7-chloro-3-docosan-10-yl-5H-pyrazolo[5,1-c][1,2,4]triazole;6-tert-butyl-7-chloro-3-[1-(2-methylphenyl)propan-2-yl]-5H-pyrazolo[5,1-c][1,2,4]triazole;4-[[3-[1-(5-tert-butyl-2-methylphenyl)-3-methylbutan-2-yl]-6-propan-2-yl-5H-pyrazolo[5,1-c][1,2,4]triazol-7-yl]oxy]-N-(2-hydroxyethyl)benzamide

C109H158Cl2N18O5 — CID 91461538

About 4-[[6-tert-butyl-3-[1-(5-tert-butyl-2-methylphenyl)propan-2-yl]-5H-pyrazolo[5,1-c][1,2,4]triazol-7-yl]oxy]benzamide;6-tert-butyl-7-chloro-3-docosan-10-yl-5H-pyrazolo[5,1-c][1,2,4]triazole;6-tert-butyl-7-chloro-3-[1-(2-methylphenyl)propan-2-yl]-5H-pyrazolo[5,1-c][1,2,4]triazole;4-[[3-[1-(5-tert-butyl-2-methylphenyl)-3-methylbutan-2-yl]-6-propan-2-yl-5H-pyrazolo[5,1-c][1,2,4]triazol-7-yl]oxy]-N-(2-hydroxyethyl)benzamide

4-[[6-tert-butyl-3-[1-(5-tert-butyl-2-methylphenyl)propan-2-yl]-5H-pyrazolo[5,1-c][1,2,4]triazol-7-yl]oxy]benzamide;6-tert-butyl-7-chloro-3-docosan-10-yl-5H-pyrazolo[5,1-c][1,2,4]triazole;6-tert-butyl-7-chloro-3-[1-(2-methylphenyl)propan-2-yl]-5H-pyrazolo[5,1-c][1,2,4]triazole;4-[[3-[1-(5-tert-butyl-2-methylphenyl)-3-methylbutan-2-yl]-6-propan-2-yl-5H-pyrazolo[5,1-c][1,2,4]triazol-7-yl]oxy]-N-(2-hydroxyethyl)benzamide (PubChem CID 91461538) has the molecular formula C109H158Cl2N18O5 and a molecular weight of 1871.49 g/mol. Its IUPAC name is 4-[[6-tert-butyl-3-[1-(5-tert-butyl-2-methylphenyl)propan-2-yl]-5H-pyrazolo[5,1-c][1,2,4]triazol-7-yl]oxy]benzamide;6-tert-butyl-7-chloro-3-docosan-10-yl-5H-pyrazolo[5,1-c][1,2,4]triazole;6-tert-butyl-7-chloro-3-[1-(2-methylphenyl)propan-2-yl]-5H-pyrazolo[5,1-c][1,2,4]triazole;4-[[3-[1-(5-tert-butyl-2-methylphenyl)-3-methylbutan-2-yl]-6-propan-2-yl-5H-pyrazolo[5,1-c][1,2,4]triazol-7-yl]oxy]-N-(2-hydroxyethyl)benzamide.

Molecular Properties

• Compound Name: 4-[[6-tert-butyl-3-[1-(5-tert-butyl-2-methylphenyl)propan-2-yl]-5H-pyrazolo[5,1-c][1,2,4]triazol-7-yl]oxy]benzamide;6-tert-butyl-7-chloro-3-docosan-10-yl-5H-pyrazolo[5,1-c][1,2,4]triazole;6-tert-butyl-7-chloro-3-[1-(2-methylphenyl)propan-2-yl]-5H-pyrazolo[5,1-c][1,2,4]triazole;4-[[3-[1-(5-tert-butyl-2-methylphenyl)-3-methylbutan-2-yl]-6-propan-2-yl-5H-pyrazolo[5,1-c][1,2,4]triazol-7-yl]oxy]-N-(2-hydroxyethyl)benzamide
• PubChem CID: 91461538
• Molecular Formula: C109H158Cl2N18O5
• Molecular Weight: 1871.49 g/mol
• Exact Mass: 1869.20
• IUPAC Name: 4-[[6-tert-butyl-3-[1-(5-tert-butyl-2-methylphenyl)propan-2-yl]-5H-pyrazolo[5,1-c][1,2,4]triazol-7-yl]oxy]benzamide;6-tert-butyl-7-chloro-3-docosan-10-yl-5H-pyrazolo[5,1-c][1,2,4]triazole;6-tert-butyl-7-chloro-3-[1-(2-methylphenyl)propan-2-yl]-5H-pyrazolo[5,1-c][1,2,4]triazole;4-[[3-[1-(5-tert-butyl-2-methylphenyl)-3-methylbutan-2-yl]-6-propan-2-yl-5H-pyrazolo[5,1-c][1,2,4]triazol-7-yl]oxy]-N-(2-hydroxyethyl)benzamide
• SMILES: CCCCCCCCCCCCC(CCCCCCCCC)c1nnc2c(Cl)c(C(C)(C)C)[nH]n12.Cc1ccc(C(C)(C)C)cc1CC(C)c1nnc2c(Oc3ccc(C(N)=O)cc3)c(C(C)(C)C)[nH]n12.Cc1ccc(C(C)(C)C)cc1CC(c1nnc2c(Oc3ccc(C(=O)NCCO)cc3)c(C(C)C)[nH]n12)C(C)C.Cc1ccccc1CC(C)c1nnc2c(Cl)c(C(C)(C)C)[nH]n12
• InChI: InChI=1S/C32H43N5O3.C30H55ClN4.C29H37N5O2.C18H23ClN4/c1-19(2)26(18-23-17-24(32(6,7)8)12-9-21(23)5)29-34-35-30-28(27(20(3)4)36-37(29)30)40-25-13-10-22(11-14-25)31(39)33-15-16-38;1-6-8-10-12-14-15-16-18-20-22-24-25(23-21-19-17-13-11-9-7-2)28-32-33-29-26(31)27(30(3,4)5)34-35(28)29;1-17-9-12-21(28(3,4)5)16-20(17)15-18(2)26-31-32-27-23(24(29(6,7)8)33-34(26)27)36-22-13-10-19(11-14-22)25(30)35;1-11-8-6-7-9-13(11)10-12(2)16-20-21-17-14(19)15(18(3,4)5)22-23(16)17/h9-14,17,19-20,26,36,38H,15-16,18H2,1-8H3,(H,33,39);25,34H,6-24H2,1-5H3;9-14,16,18,33H,15H2,1-8H3,(H2,30,35);6-9,12,22H,10H2,1-5H3
• InChIKey: DYQRNFXPOYJBJQ-UHFFFAOYSA-N
• XLogP: 27.69
• TPSA: 294.80 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 17
• Rotatable Bonds: 39
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1871.49
LogP ≤ 5	27.69
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[[6-tert-butyl-3-[1-(5-tert-butyl-2-methylphenyl)propan-2-yl]-5H-pyrazolo[5,1-c][1,2,4]triazol-7-yl]oxy]benzamide;6-tert-butyl-7-chloro-3-docosan-10-yl-5H-pyrazolo[5,1-c][1,2,4]triazole;6-tert-butyl-7-chloro-3-[1-(2-methylphenyl)propan-2-yl]-5H-pyrazolo[5,1-c][1,2,4]triazole;4-[[3-[1-(5-tert-butyl-2-methylphenyl)-3-methylbutan-2-yl]-6-propan-2-yl-5H-pyrazolo[5,1-c][1,2,4]triazol-7-yl]oxy]-N-(2-hydroxyethyl)benzamide?

The IUPAC name of 4-[[6-tert-butyl-3-[1-(5-tert-butyl-2-methylphenyl)propan-2-yl]-5H-pyrazolo[5,1-c][1,2,4]triazol-7-yl]oxy]benzamide;6-tert-butyl-7-chloro-3-docosan-10-yl-5H-pyrazolo[5,1-c][1,2,4]triazole;6-tert-butyl-7-chloro-3-[1-(2-methylphenyl)propan-2-yl]-5H-pyrazolo[5,1-c][1,2,4]triazole;4-[[3-[1-(5-tert-butyl-2-methylphenyl)-3-methylbutan-2-yl]-6-propan-2-yl-5H-pyrazolo[5,1-c][1,2,4]triazol-7-yl]oxy]-N-(2-hydroxyethyl)benzamide (CID 91461538) is 4-[[6-tert-butyl-3-[1-(5-tert-butyl-2-methylphenyl)propan-2-yl]-5H-pyrazolo[5,1-c][1,2,4]triazol-7-yl]oxy]benzamide;6-tert-butyl-7-chloro-3-docosan-10-yl-5H-pyrazolo[5,1-c][1,2,4]triazole;6-tert-butyl-7-chloro-3-[1-(2-methylphenyl)propan-2-yl]-5H-pyrazolo[5,1-c][1,2,4]triazole;4-[[3-[1-(5-tert-butyl-2-methylphenyl)-3-methylbutan-2-yl]-6-propan-2-yl-5H-pyrazolo[5,1-c][1,2,4]triazol-7-yl]oxy]-N-(2-hydroxyethyl)benzamide.

What is the SMILES notation for 4-[[6-tert-butyl-3-[1-(5-tert-butyl-2-methylphenyl)propan-2-yl]-5H-pyrazolo[5,1-c][1,2,4]triazol-7-yl]oxy]benzamide;6-tert-butyl-7-chloro-3-docosan-10-yl-5H-pyrazolo[5,1-c][1,2,4]triazole;6-tert-butyl-7-chloro-3-[1-(2-methylphenyl)propan-2-yl]-5H-pyrazolo[5,1-c][1,2,4]triazole;4-[[3-[1-(5-tert-butyl-2-methylphenyl)-3-methylbutan-2-yl]-6-propan-2-yl-5H-pyrazolo[5,1-c][1,2,4]triazol-7-yl]oxy]-N-(2-hydroxyethyl)benzamide?

The canonical SMILES for 4-[[6-tert-butyl-3-[1-(5-tert-butyl-2-methylphenyl)propan-2-yl]-5H-pyrazolo[5,1-c][1,2,4]triazol-7-yl]oxy]benzamide;6-tert-butyl-7-chloro-3-docosan-10-yl-5H-pyrazolo[5,1-c][1,2,4]triazole;6-tert-butyl-7-chloro-3-[1-(2-methylphenyl)propan-2-yl]-5H-pyrazolo[5,1-c][1,2,4]triazole;4-[[3-[1-(5-tert-butyl-2-methylphenyl)-3-methylbutan-2-yl]-6-propan-2-yl-5H-pyrazolo[5,1-c][1,2,4]triazol-7-yl]oxy]-N-(2-hydroxyethyl)benzamide is CCCCCCCCCCCCC(CCCCCCCCC)c1nnc2c(Cl)c(C(C)(C)C)[nH]n12.Cc1ccc(C(C)(C)C)cc1CC(C)c1nnc2c(Oc3ccc(C(N)=O)cc3)c(C(C)(C)C)[nH]n12.Cc1ccc(C(C)(C)C)cc1CC(c1nnc2c(Oc3ccc(C(=O)NCCO)cc3)c(C(C)C)[nH]n12)C(C)C.Cc1ccccc1CC(C)c1nnc2c(Cl)c(C(C)(C)C)[nH]n12.

What is the InChIKey of 4-[[6-tert-butyl-3-[1-(5-tert-butyl-2-methylphenyl)propan-2-yl]-5H-pyrazolo[5,1-c][1,2,4]triazol-7-yl]oxy]benzamide;6-tert-butyl-7-chloro-3-docosan-10-yl-5H-pyrazolo[5,1-c][1,2,4]triazole;6-tert-butyl-7-chloro-3-[1-(2-methylphenyl)propan-2-yl]-5H-pyrazolo[5,1-c][1,2,4]triazole;4-[[3-[1-(5-tert-butyl-2-methylphenyl)-3-methylbutan-2-yl]-6-propan-2-yl-5H-pyrazolo[5,1-c][1,2,4]triazol-7-yl]oxy]-N-(2-hydroxyethyl)benzamide?

The InChIKey is DYQRNFXPOYJBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H43N5O3.C30H55ClN4.C29H37N5O2.C18H23ClN4/c1-19(2)26(18-23-17-24(32(6,7)8)12-9-21(23)5)29-34-35-30-28(27(20(3)4)36-37(29)30)40-25-13-10-22(11-14-25)31(39)33-15-16-38;1-6-8-10-12-14-15-16-18-20-22-24-25(23-21-19-17-13-11-9-7-2)28-32-33-29-26(31)27(30(3,4)5)34-35(28)29;1-17-9-12-21(28(3,4)5)16-20(17)15-18(2)26-31-32-27-23(24(29(6,7)8)33-34(26)27)36-22-13-10-19(11-14-22)25(30)35;1-11-8-6-7-9-13(11)10-12(2)16-20-21-17-14(19)15(18(3,4)5)22-23(16)17/h9-14,17,19-20,26,36,38H,15-16,18H2,1-8H3,(H,33,39);25,34H,6-24H2,1-5H3;9-14,16,18,33H,15H2,1-8H3,(H2,30,35);6-9,12,22H,10H2,1-5H3.

What are the key properties of 4-[[6-tert-butyl-3-[1-(5-tert-butyl-2-methylphenyl)propan-2-yl]-5H-pyrazolo[5,1-c][1,2,4]triazol-7-yl]oxy]benzamide;6-tert-butyl-7-chloro-3-docosan-10-yl-5H-pyrazolo[5,1-c][1,2,4]triazole;6-tert-butyl-7-chloro-3-[1-(2-methylphenyl)propan-2-yl]-5H-pyrazolo[5,1-c][1,2,4]triazole;4-[[3-[1-(5-tert-butyl-2-methylphenyl)-3-methylbutan-2-yl]-6-propan-2-yl-5H-pyrazolo[5,1-c][1,2,4]triazol-7-yl]oxy]-N-(2-hydroxyethyl)benzamide?

4-[[6-tert-butyl-3-[1-(5-tert-butyl-2-methylphenyl)propan-2-yl]-5H-pyrazolo[5,1-c][1,2,4]triazol-7-yl]oxy]benzamide;6-tert-butyl-7-chloro-3-docosan-10-yl-5H-pyrazolo[5,1-c][1,2,4]triazole;6-tert-butyl-7-chloro-3-[1-(2-methylphenyl)propan-2-yl]-5H-pyrazolo[5,1-c][1,2,4]triazole;4-[[3-[1-(5-tert-butyl-2-methylphenyl)-3-methylbutan-2-yl]-6-propan-2-yl-5H-pyrazolo[5,1-c][1,2,4]triazol-7-yl]oxy]-N-(2-hydroxyethyl)benzamide has a molecular weight of 1871.49 g/mol, XLogP of 27.69, 39 rotatable bonds, 7 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[6-tert-butyl-3-[1-(5-tert-butyl-2-methylphenyl)propan-2-yl]-5H-pyrazolo[5,1-c][1,2,4]triazol-7-yl]oxy]benzamide;6-tert-butyl-7-chloro-3-docosan-10-yl-5H-pyrazolo[5,1-c][1,2,4]triazole;6-tert-butyl-7-chloro-3-[1-(2-methylphenyl)propan-2-yl]-5H-pyrazolo[5,1-c][1,2,4]triazole;4-[[3-[1-(5-tert-butyl-2-methylphenyl)-3-methylbutan-2-yl]-6-propan-2-yl-5H-pyrazolo[5,1-c][1,2,4]triazol-7-yl]oxy]-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 91461538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).