(2-butoxy-5-methylphenyl) 3-[7-pyrazol-1-yl-6-(trifluoromethyl)-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]propane-1-sulfinate;3-[3-[[4-chloro-3-[(5-methyl-2-octoxyphenoxy)sulfinylamino]phenoxy]sulfinylamino]-2,4,6-trimethylphenyl]-6-phenoxy-5H-pyrazolo[5,1-c][1,2,4]triazole;(4-hydroxyphenyl) 4-[1-[4-[3-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)propyl]anilino]-1-oxododecan-2-yl]oxybenzenesulfinate;2-[1-[(5-methyl-2-octoxyphenoxy)sulfinylamino]propan-2-yl]-6-propan-2-yloxy-3H-pyrazolo[1,5-b][1,2,4]triazole

C125H155Cl2F3N22O18S5 — CID 54325314

About (2-butoxy-5-methylphenyl) 3-[7-pyrazol-1-yl-6-(trifluoromethyl)-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]propane-1-sulfinate;3-[3-[[4-chloro-3-[(5-methyl-2-octoxyphenoxy)sulfinylamino]phenoxy]sulfinylamino]-2,4,6-trimethylphenyl]-6-phenoxy-5H-pyrazolo[5,1-c][1,2,4]triazole;(4-hydroxyphenyl) 4-[1-[4-[3-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)propyl]anilino]-1-oxododecan-2-yl]oxybenzenesulfinate;2-[1-[(5-methyl-2-octoxyphenoxy)sulfinylamino]propan-2-yl]-6-propan-2-yloxy-3H-pyrazolo[1,5-b][1,2,4]triazole

(2-butoxy-5-methylphenyl) 3-[7-pyrazol-1-yl-6-(trifluoromethyl)-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]propane-1-sulfinate;3-[3-[[4-chloro-3-[(5-methyl-2-octoxyphenoxy)sulfinylamino]phenoxy]sulfinylamino]-2,4,6-trimethylphenyl]-6-phenoxy-5H-pyrazolo[5,1-c][1,2,4]triazole;(4-hydroxyphenyl) 4-[1-[4-[3-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)propyl]anilino]-1-oxododecan-2-yl]oxybenzenesulfinate;2-[1-[(5-methyl-2-octoxyphenoxy)sulfinylamino]propan-2-yl]-6-propan-2-yloxy-3H-pyrazolo[1,5-b][1,2,4]triazole (PubChem CID 54325314) has the molecular formula C125H155Cl2F3N22O18S5 and a molecular weight of 2541.99 g/mol. Its IUPAC name is (2-butoxy-5-methylphenyl) 3-[7-pyrazol-1-yl-6-(trifluoromethyl)-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]propane-1-sulfinate;3-[3-[[4-chloro-3-[(5-methyl-2-octoxyphenoxy)sulfinylamino]phenoxy]sulfinylamino]-2,4,6-trimethylphenyl]-6-phenoxy-5H-pyrazolo[5,1-c][1,2,4]triazole;(4-hydroxyphenyl) 4-[1-[4-[3-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)propyl]anilino]-1-oxododecan-2-yl]oxybenzenesulfinate;2-[1-[(5-methyl-2-octoxyphenoxy)sulfinylamino]propan-2-yl]-6-propan-2-yloxy-3H-pyrazolo[1,5-b][1,2,4]triazole.

Molecular Properties

• Compound Name: (2-butoxy-5-methylphenyl) 3-[7-pyrazol-1-yl-6-(trifluoromethyl)-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]propane-1-sulfinate;3-[3-[[4-chloro-3-[(5-methyl-2-octoxyphenoxy)sulfinylamino]phenoxy]sulfinylamino]-2,4,6-trimethylphenyl]-6-phenoxy-5H-pyrazolo[5,1-c][1,2,4]triazole;(4-hydroxyphenyl) 4-[1-[4-[3-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)propyl]anilino]-1-oxododecan-2-yl]oxybenzenesulfinate;2-[1-[(5-methyl-2-octoxyphenoxy)sulfinylamino]propan-2-yl]-6-propan-2-yloxy-3H-pyrazolo[1,5-b][1,2,4]triazole
• PubChem CID: 54325314
• Molecular Formula: C125H155Cl2F3N22O18S5
• Molecular Weight: 2541.99 g/mol
• Exact Mass: 2538.98
• IUPAC Name: (2-butoxy-5-methylphenyl) 3-[7-pyrazol-1-yl-6-(trifluoromethyl)-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]propane-1-sulfinate;3-[3-[[4-chloro-3-[(5-methyl-2-octoxyphenoxy)sulfinylamino]phenoxy]sulfinylamino]-2,4,6-trimethylphenyl]-6-phenoxy-5H-pyrazolo[5,1-c][1,2,4]triazole;(4-hydroxyphenyl) 4-[1-[4-[3-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)propyl]anilino]-1-oxododecan-2-yl]oxybenzenesulfinate;2-[1-[(5-methyl-2-octoxyphenoxy)sulfinylamino]propan-2-yl]-6-propan-2-yloxy-3H-pyrazolo[1,5-b][1,2,4]triazole
• SMILES: CCCCCCCCCCC(Oc1ccc(S(=O)Oc2ccc(O)cc2)cc1)C(=O)Nc1ccc(CCCc2nnc3c(Cl)c(C)[nH]n23)cc1.CCCCCCCCOc1ccc(C)cc1OS(=O)NCC(C)c1nc2cc(OC(C)C)nn2[nH]1.CCCCCCCCOc1ccc(C)cc1OS(=O)Nc1cc(OS(=O)Nc2c(C)cc(C)c(-c3nnc4cc(Oc5ccccc5)[nH]n34)c2C)ccc1Cl.CCCCOc1ccc(C)cc1OS(=O)CCCc1nc2c(-n3cccn3)c(C(F)(F)F)[nH]n2n1
• InChI: InChI=1S/C40H45ClN6O6S2.C38H46ClN5O5S.C25H39N5O4S.C22H25F3N6O3S/c1-6-7-8-9-10-14-21-50-34-20-17-26(2)22-35(34)53-54(48)45-33-24-31(18-19-32(33)41)52-55(49)46-39-28(4)23-27(3)38(29(39)5)40-43-42-36-25-37(44-47(36)40)51-30-15-12-11-13-16-30;1-3-4-5-6-7-8-9-10-13-34(48-31-23-25-33(26-24-31)50(47)49-32-21-19-30(45)20-22-32)38(46)40-29-17-15-28(16-18-29)12-11-14-35-41-42-37-36(39)27(2)43-44(35)37;1-6-7-8-9-10-11-14-32-21-13-12-19(4)15-22(21)34-35(31)26-17-20(5)25-27-23-16-24(33-18(2)3)28-30(23)29-25;1-3-4-12-33-16-9-8-15(2)14-17(16)34-35(32)13-5-7-18-27-21-19(30-11-6-10-26-30)20(22(23,24)25)29-31(21)28-18/h11-13,15-20,22-25,44-46H,6-10,14,21H2,1-5H3;15-26,34,43,45H,3-14H2,1-2H3,(H,40,46);12-13,15-16,18,20,26H,6-11,14,17H2,1-5H3,(H,27,29);6,8-11,14,29H,3-5,7,12-13H2,1-2H3
• InChIKey: WXCIDSOEVQYLDU-UHFFFAOYSA-N
• XLogP: 28.87
• TPSA: 474.04 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 32
• Rotatable Bonds: 66
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2541.99
LogP ≤ 5	28.87
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2-butoxy-5-methylphenyl) 3-[7-pyrazol-1-yl-6-(trifluoromethyl)-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]propane-1-sulfinate;3-[3-[[4-chloro-3-[(5-methyl-2-octoxyphenoxy)sulfinylamino]phenoxy]sulfinylamino]-2,4,6-trimethylphenyl]-6-phenoxy-5H-pyrazolo[5,1-c][1,2,4]triazole;(4-hydroxyphenyl) 4-[1-[4-[3-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)propyl]anilino]-1-oxododecan-2-yl]oxybenzenesulfinate;2-[1-[(5-methyl-2-octoxyphenoxy)sulfinylamino]propan-2-yl]-6-propan-2-yloxy-3H-pyrazolo[1,5-b][1,2,4]triazole?

The IUPAC name of (2-butoxy-5-methylphenyl) 3-[7-pyrazol-1-yl-6-(trifluoromethyl)-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]propane-1-sulfinate;3-[3-[[4-chloro-3-[(5-methyl-2-octoxyphenoxy)sulfinylamino]phenoxy]sulfinylamino]-2,4,6-trimethylphenyl]-6-phenoxy-5H-pyrazolo[5,1-c][1,2,4]triazole;(4-hydroxyphenyl) 4-[1-[4-[3-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)propyl]anilino]-1-oxododecan-2-yl]oxybenzenesulfinate;2-[1-[(5-methyl-2-octoxyphenoxy)sulfinylamino]propan-2-yl]-6-propan-2-yloxy-3H-pyrazolo[1,5-b][1,2,4]triazole (CID 54325314) is (2-butoxy-5-methylphenyl) 3-[7-pyrazol-1-yl-6-(trifluoromethyl)-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]propane-1-sulfinate;3-[3-[[4-chloro-3-[(5-methyl-2-octoxyphenoxy)sulfinylamino]phenoxy]sulfinylamino]-2,4,6-trimethylphenyl]-6-phenoxy-5H-pyrazolo[5,1-c][1,2,4]triazole;(4-hydroxyphenyl) 4-[1-[4-[3-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)propyl]anilino]-1-oxododecan-2-yl]oxybenzenesulfinate;2-[1-[(5-methyl-2-octoxyphenoxy)sulfinylamino]propan-2-yl]-6-propan-2-yloxy-3H-pyrazolo[1,5-b][1,2,4]triazole.

What is the SMILES notation for (2-butoxy-5-methylphenyl) 3-[7-pyrazol-1-yl-6-(trifluoromethyl)-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]propane-1-sulfinate;3-[3-[[4-chloro-3-[(5-methyl-2-octoxyphenoxy)sulfinylamino]phenoxy]sulfinylamino]-2,4,6-trimethylphenyl]-6-phenoxy-5H-pyrazolo[5,1-c][1,2,4]triazole;(4-hydroxyphenyl) 4-[1-[4-[3-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)propyl]anilino]-1-oxododecan-2-yl]oxybenzenesulfinate;2-[1-[(5-methyl-2-octoxyphenoxy)sulfinylamino]propan-2-yl]-6-propan-2-yloxy-3H-pyrazolo[1,5-b][1,2,4]triazole?

The canonical SMILES for (2-butoxy-5-methylphenyl) 3-[7-pyrazol-1-yl-6-(trifluoromethyl)-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]propane-1-sulfinate;3-[3-[[4-chloro-3-[(5-methyl-2-octoxyphenoxy)sulfinylamino]phenoxy]sulfinylamino]-2,4,6-trimethylphenyl]-6-phenoxy-5H-pyrazolo[5,1-c][1,2,4]triazole;(4-hydroxyphenyl) 4-[1-[4-[3-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)propyl]anilino]-1-oxododecan-2-yl]oxybenzenesulfinate;2-[1-[(5-methyl-2-octoxyphenoxy)sulfinylamino]propan-2-yl]-6-propan-2-yloxy-3H-pyrazolo[1,5-b][1,2,4]triazole is CCCCCCCCCCC(Oc1ccc(S(=O)Oc2ccc(O)cc2)cc1)C(=O)Nc1ccc(CCCc2nnc3c(Cl)c(C)[nH]n23)cc1.CCCCCCCCOc1ccc(C)cc1OS(=O)NCC(C)c1nc2cc(OC(C)C)nn2[nH]1.CCCCCCCCOc1ccc(C)cc1OS(=O)Nc1cc(OS(=O)Nc2c(C)cc(C)c(-c3nnc4cc(Oc5ccccc5)[nH]n34)c2C)ccc1Cl.CCCCOc1ccc(C)cc1OS(=O)CCCc1nc2c(-n3cccn3)c(C(F)(F)F)[nH]n2n1.

What is the InChIKey of (2-butoxy-5-methylphenyl) 3-[7-pyrazol-1-yl-6-(trifluoromethyl)-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]propane-1-sulfinate;3-[3-[[4-chloro-3-[(5-methyl-2-octoxyphenoxy)sulfinylamino]phenoxy]sulfinylamino]-2,4,6-trimethylphenyl]-6-phenoxy-5H-pyrazolo[5,1-c][1,2,4]triazole;(4-hydroxyphenyl) 4-[1-[4-[3-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)propyl]anilino]-1-oxododecan-2-yl]oxybenzenesulfinate;2-[1-[(5-methyl-2-octoxyphenoxy)sulfinylamino]propan-2-yl]-6-propan-2-yloxy-3H-pyrazolo[1,5-b][1,2,4]triazole?

The InChIKey is WXCIDSOEVQYLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H45ClN6O6S2.C38H46ClN5O5S.C25H39N5O4S.C22H25F3N6O3S/c1-6-7-8-9-10-14-21-50-34-20-17-26(2)22-35(34)53-54(48)45-33-24-31(18-19-32(33)41)52-55(49)46-39-28(4)23-27(3)38(29(39)5)40-43-42-36-25-37(44-47(36)40)51-30-15-12-11-13-16-30;1-3-4-5-6-7-8-9-10-13-34(48-31-23-25-33(26-24-31)50(47)49-32-21-19-30(45)20-22-32)38(46)40-29-17-15-28(16-18-29)12-11-14-35-41-42-37-36(39)27(2)43-44(35)37;1-6-7-8-9-10-11-14-32-21-13-12-19(4)15-22(21)34-35(31)26-17-20(5)25-27-23-16-24(33-18(2)3)28-30(23)29-25;1-3-4-12-33-16-9-8-15(2)14-17(16)34-35(32)13-5-7-18-27-21-19(30-11-6-10-26-30)20(22(23,24)25)29-31(21)28-18/h11-13,15-20,22-25,44-46H,6-10,14,21H2,1-5H3;15-26,34,43,45H,3-14H2,1-2H3,(H,40,46);12-13,15-16,18,20,26H,6-11,14,17H2,1-5H3,(H,27,29);6,8-11,14,29H,3-5,7,12-13H2,1-2H3.

What are the key properties of (2-butoxy-5-methylphenyl) 3-[7-pyrazol-1-yl-6-(trifluoromethyl)-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]propane-1-sulfinate;3-[3-[[4-chloro-3-[(5-methyl-2-octoxyphenoxy)sulfinylamino]phenoxy]sulfinylamino]-2,4,6-trimethylphenyl]-6-phenoxy-5H-pyrazolo[5,1-c][1,2,4]triazole;(4-hydroxyphenyl) 4-[1-[4-[3-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)propyl]anilino]-1-oxododecan-2-yl]oxybenzenesulfinate;2-[1-[(5-methyl-2-octoxyphenoxy)sulfinylamino]propan-2-yl]-6-propan-2-yloxy-3H-pyrazolo[1,5-b][1,2,4]triazole?

(2-butoxy-5-methylphenyl) 3-[7-pyrazol-1-yl-6-(trifluoromethyl)-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]propane-1-sulfinate;3-[3-[[4-chloro-3-[(5-methyl-2-octoxyphenoxy)sulfinylamino]phenoxy]sulfinylamino]-2,4,6-trimethylphenyl]-6-phenoxy-5H-pyrazolo[5,1-c][1,2,4]triazole;(4-hydroxyphenyl) 4-[1-[4-[3-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)propyl]anilino]-1-oxododecan-2-yl]oxybenzenesulfinate;2-[1-[(5-methyl-2-octoxyphenoxy)sulfinylamino]propan-2-yl]-6-propan-2-yloxy-3H-pyrazolo[1,5-b][1,2,4]triazole has a molecular weight of 2541.99 g/mol, XLogP of 28.87, 66 rotatable bonds, 9 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for (2-butoxy-5-methylphenyl) 3-[7-pyrazol-1-yl-6-(trifluoromethyl)-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]propane-1-sulfinate;3-[3-[[4-chloro-3-[(5-methyl-2-octoxyphenoxy)sulfinylamino]phenoxy]sulfinylamino]-2,4,6-trimethylphenyl]-6-phenoxy-5H-pyrazolo[5,1-c][1,2,4]triazole;(4-hydroxyphenyl) 4-[1-[4-[3-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)propyl]anilino]-1-oxododecan-2-yl]oxybenzenesulfinate;2-[1-[(5-methyl-2-octoxyphenoxy)sulfinylamino]propan-2-yl]-6-propan-2-yloxy-3H-pyrazolo[1,5-b][1,2,4]triazole is sourced from PubChem (CID 54325314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).