6-tert-butyl-7-chloro-3-pentyl-5H-pyrazolo[5,1-c][1,2,4]triazole;N-[1-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)propan-2-yl]-2-[4-[(4-hydroxyphenyl)methyl]phenoxy]tetradecanamide;N-[2-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-2-methylpropyl]-2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenoxy]tetradecanamide;N-[4-[3-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)propyl]phenyl]-2-[4-[(4-hydroxyphenyl)methyl]phenoxy]dodecanamide

C120H168Cl4N20O10S — CID 54059126

About 6-tert-butyl-7-chloro-3-pentyl-5H-pyrazolo[5,1-c][1,2,4]triazole;N-[1-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)propan-2-yl]-2-[4-[(4-hydroxyphenyl)methyl]phenoxy]tetradecanamide;N-[2-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-2-methylpropyl]-2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenoxy]tetradecanamide;N-[4-[3-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)propyl]phenyl]-2-[4-[(4-hydroxyphenyl)methyl]phenoxy]dodecanamide

6-tert-butyl-7-chloro-3-pentyl-5H-pyrazolo[5,1-c][1,2,4]triazole;N-[1-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)propan-2-yl]-2-[4-[(4-hydroxyphenyl)methyl]phenoxy]tetradecanamide;N-[2-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-2-methylpropyl]-2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenoxy]tetradecanamide;N-[4-[3-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)propyl]phenyl]-2-[4-[(4-hydroxyphenyl)methyl]phenoxy]dodecanamide (PubChem CID 54059126) has the molecular formula C120H168Cl4N20O10S and a molecular weight of 2224.67 g/mol. Its IUPAC name is 6-tert-butyl-7-chloro-3-pentyl-5H-pyrazolo[5,1-c][1,2,4]triazole;N-[1-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)propan-2-yl]-2-[4-[(4-hydroxyphenyl)methyl]phenoxy]tetradecanamide;N-[2-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-2-methylpropyl]-2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenoxy]tetradecanamide;N-[4-[3-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)propyl]phenyl]-2-[4-[(4-hydroxyphenyl)methyl]phenoxy]dodecanamide.

Molecular Properties

• Compound Name: 6-tert-butyl-7-chloro-3-pentyl-5H-pyrazolo[5,1-c][1,2,4]triazole;N-[1-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)propan-2-yl]-2-[4-[(4-hydroxyphenyl)methyl]phenoxy]tetradecanamide;N-[2-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-2-methylpropyl]-2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenoxy]tetradecanamide;N-[4-[3-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)propyl]phenyl]-2-[4-[(4-hydroxyphenyl)methyl]phenoxy]dodecanamide
• PubChem CID: 54059126
• Molecular Formula: C120H168Cl4N20O10S
• Molecular Weight: 2224.67 g/mol
• Exact Mass: 2221.17
• IUPAC Name: 6-tert-butyl-7-chloro-3-pentyl-5H-pyrazolo[5,1-c][1,2,4]triazole;N-[1-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)propan-2-yl]-2-[4-[(4-hydroxyphenyl)methyl]phenoxy]tetradecanamide;N-[2-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-2-methylpropyl]-2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenoxy]tetradecanamide;N-[4-[3-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)propyl]phenyl]-2-[4-[(4-hydroxyphenyl)methyl]phenoxy]dodecanamide
• SMILES: CCCCCCCCCCC(Oc1ccc(Cc2ccc(O)cc2)cc1)C(=O)Nc1ccc(CCCc2nnc3c(Cl)c(C)[nH]n23)cc1.CCCCCCCCCCCCC(Oc1ccc(Cc2ccc(O)cc2)cc1)C(=O)NC(C)Cc1nc2c(Cl)c(C)[nH]n2n1.CCCCCCCCCCCCC(Oc1ccc(N2CCS(=O)(=O)CC2)cc1)C(=O)NCC(C)(C)c1nnc2c(Cl)c(C)[nH]n12.CCCCCc1nnc2c(Cl)c(C(C)(C)C)[nH]n12
• InChI: InChI=1S/C39H48ClN5O3.C35H48ClN5O3.C33H51ClN6O4S.C13H21ClN4/c1-3-4-5-6-7-8-9-10-13-35(48-34-25-19-31(20-26-34)27-30-17-23-33(46)24-18-30)39(47)41-32-21-15-29(16-22-32)12-11-14-36-42-43-38-37(40)28(2)44-45(36)38;1-4-5-6-7-8-9-10-11-12-13-14-31(44-30-21-17-28(18-22-30)24-27-15-19-29(42)20-16-27)35(43)37-25(2)23-32-38-34-33(36)26(3)39-41(34)40-32;1-5-6-7-8-9-10-11-12-13-14-15-28(44-27-18-16-26(17-19-27)39-20-22-45(42,43)23-21-39)31(41)35-24-33(3,4)32-37-36-30-29(34)25(2)38-40(30)32;1-5-6-7-8-9-15-16-12-10(14)11(13(2,3)4)17-18(9)12/h15-26,35,44,46H,3-14,27H2,1-2H3,(H,41,47);15-22,25,31,39,42H,4-14,23-24H2,1-3H3,(H,37,43);16-19,28,38H,5-15,20-24H2,1-4H3,(H,35,41);17H,5-8H2,1-4H3
• InChIKey: FXLPFECDQFVFIE-UHFFFAOYSA-N
• XLogP: 27.68
• TPSA: 376.75 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 23
• Rotatable Bonds: 60
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2224.67
LogP ≤ 5	27.68
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-7-chloro-3-pentyl-5H-pyrazolo[5,1-c][1,2,4]triazole;N-[1-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)propan-2-yl]-2-[4-[(4-hydroxyphenyl)methyl]phenoxy]tetradecanamide;N-[2-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-2-methylpropyl]-2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenoxy]tetradecanamide;N-[4-[3-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)propyl]phenyl]-2-[4-[(4-hydroxyphenyl)methyl]phenoxy]dodecanamide?

The IUPAC name of 6-tert-butyl-7-chloro-3-pentyl-5H-pyrazolo[5,1-c][1,2,4]triazole;N-[1-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)propan-2-yl]-2-[4-[(4-hydroxyphenyl)methyl]phenoxy]tetradecanamide;N-[2-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-2-methylpropyl]-2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenoxy]tetradecanamide;N-[4-[3-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)propyl]phenyl]-2-[4-[(4-hydroxyphenyl)methyl]phenoxy]dodecanamide (CID 54059126) is 6-tert-butyl-7-chloro-3-pentyl-5H-pyrazolo[5,1-c][1,2,4]triazole;N-[1-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)propan-2-yl]-2-[4-[(4-hydroxyphenyl)methyl]phenoxy]tetradecanamide;N-[2-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-2-methylpropyl]-2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenoxy]tetradecanamide;N-[4-[3-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)propyl]phenyl]-2-[4-[(4-hydroxyphenyl)methyl]phenoxy]dodecanamide.

What is the SMILES notation for 6-tert-butyl-7-chloro-3-pentyl-5H-pyrazolo[5,1-c][1,2,4]triazole;N-[1-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)propan-2-yl]-2-[4-[(4-hydroxyphenyl)methyl]phenoxy]tetradecanamide;N-[2-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-2-methylpropyl]-2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenoxy]tetradecanamide;N-[4-[3-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)propyl]phenyl]-2-[4-[(4-hydroxyphenyl)methyl]phenoxy]dodecanamide?

The canonical SMILES for 6-tert-butyl-7-chloro-3-pentyl-5H-pyrazolo[5,1-c][1,2,4]triazole;N-[1-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)propan-2-yl]-2-[4-[(4-hydroxyphenyl)methyl]phenoxy]tetradecanamide;N-[2-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-2-methylpropyl]-2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenoxy]tetradecanamide;N-[4-[3-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)propyl]phenyl]-2-[4-[(4-hydroxyphenyl)methyl]phenoxy]dodecanamide is CCCCCCCCCCC(Oc1ccc(Cc2ccc(O)cc2)cc1)C(=O)Nc1ccc(CCCc2nnc3c(Cl)c(C)[nH]n23)cc1.CCCCCCCCCCCCC(Oc1ccc(Cc2ccc(O)cc2)cc1)C(=O)NC(C)Cc1nc2c(Cl)c(C)[nH]n2n1.CCCCCCCCCCCCC(Oc1ccc(N2CCS(=O)(=O)CC2)cc1)C(=O)NCC(C)(C)c1nnc2c(Cl)c(C)[nH]n12.CCCCCc1nnc2c(Cl)c(C(C)(C)C)[nH]n12.

What is the InChIKey of 6-tert-butyl-7-chloro-3-pentyl-5H-pyrazolo[5,1-c][1,2,4]triazole;N-[1-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)propan-2-yl]-2-[4-[(4-hydroxyphenyl)methyl]phenoxy]tetradecanamide;N-[2-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-2-methylpropyl]-2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenoxy]tetradecanamide;N-[4-[3-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)propyl]phenyl]-2-[4-[(4-hydroxyphenyl)methyl]phenoxy]dodecanamide?

The InChIKey is FXLPFECDQFVFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H48ClN5O3.C35H48ClN5O3.C33H51ClN6O4S.C13H21ClN4/c1-3-4-5-6-7-8-9-10-13-35(48-34-25-19-31(20-26-34)27-30-17-23-33(46)24-18-30)39(47)41-32-21-15-29(16-22-32)12-11-14-36-42-43-38-37(40)28(2)44-45(36)38;1-4-5-6-7-8-9-10-11-12-13-14-31(44-30-21-17-28(18-22-30)24-27-15-19-29(42)20-16-27)35(43)37-25(2)23-32-38-34-33(36)26(3)39-41(34)40-32;1-5-6-7-8-9-10-11-12-13-14-15-28(44-27-18-16-26(17-19-27)39-20-22-45(42,43)23-21-39)31(41)35-24-33(3,4)32-37-36-30-29(34)25(2)38-40(30)32;1-5-6-7-8-9-15-16-12-10(14)11(13(2,3)4)17-18(9)12/h15-26,35,44,46H,3-14,27H2,1-2H3,(H,41,47);15-22,25,31,39,42H,4-14,23-24H2,1-3H3,(H,37,43);16-19,28,38H,5-15,20-24H2,1-4H3,(H,35,41);17H,5-8H2,1-4H3.

What are the key properties of 6-tert-butyl-7-chloro-3-pentyl-5H-pyrazolo[5,1-c][1,2,4]triazole;N-[1-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)propan-2-yl]-2-[4-[(4-hydroxyphenyl)methyl]phenoxy]tetradecanamide;N-[2-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-2-methylpropyl]-2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenoxy]tetradecanamide;N-[4-[3-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)propyl]phenyl]-2-[4-[(4-hydroxyphenyl)methyl]phenoxy]dodecanamide?

6-tert-butyl-7-chloro-3-pentyl-5H-pyrazolo[5,1-c][1,2,4]triazole;N-[1-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)propan-2-yl]-2-[4-[(4-hydroxyphenyl)methyl]phenoxy]tetradecanamide;N-[2-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-2-methylpropyl]-2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenoxy]tetradecanamide;N-[4-[3-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)propyl]phenyl]-2-[4-[(4-hydroxyphenyl)methyl]phenoxy]dodecanamide has a molecular weight of 2224.67 g/mol, XLogP of 27.68, 60 rotatable bonds, 9 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 6-tert-butyl-7-chloro-3-pentyl-5H-pyrazolo[5,1-c][1,2,4]triazole;N-[1-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)propan-2-yl]-2-[4-[(4-hydroxyphenyl)methyl]phenoxy]tetradecanamide;N-[2-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-2-methylpropyl]-2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenoxy]tetradecanamide;N-[4-[3-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)propyl]phenyl]-2-[4-[(4-hydroxyphenyl)methyl]phenoxy]dodecanamide is sourced from PubChem (CID 54059126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).