2-(3,5-dichlorophenyl)-6-dodecoxy-7-methyl-3H-pyrazolo[1,5-b][1,2,4]triazole;6,7-dimethyl-2-[3-[(5-methyl-2-octoxyphenoxy)sulfinylamino]phenyl]-5H-pyrazolo[1,5-b][1,2,4]triazole;2-(2,4-dimethylphenoxy)-N-[2-(6-ethoxy-7-methyl-3H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)propyl]octanamide;2-[1-[(4-dodecoxyphenoxy)sulfinylamino]propan-2-yl]-6,7-dimethyl-5H-pyrazolo[1,5-b][1,2,4]triazole;N-[3-(6-ethoxy-7-methyl-3H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]octane-1-sulfonamide;7-methyl-6-(2-phenoxyethoxy)-2-pyridin-3-yl-3H-pyrazolo[1,5-b][1,2,4]triazole

C142H197Cl2N29O15S3 — CID 91173985

About 2-(3,5-dichlorophenyl)-6-dodecoxy-7-methyl-3H-pyrazolo[1,5-b][1,2,4]triazole;6,7-dimethyl-2-[3-[(5-methyl-2-octoxyphenoxy)sulfinylamino]phenyl]-5H-pyrazolo[1,5-b][1,2,4]triazole;2-(2,4-dimethylphenoxy)-N-[2-(6-ethoxy-7-methyl-3H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)propyl]octanamide;2-[1-[(4-dodecoxyphenoxy)sulfinylamino]propan-2-yl]-6,7-dimethyl-5H-pyrazolo[1,5-b][1,2,4]triazole;N-[3-(6-ethoxy-7-methyl-3H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]octane-1-sulfonamide;7-methyl-6-(2-phenoxyethoxy)-2-pyridin-3-yl-3H-pyrazolo[1,5-b][1,2,4]triazole

2-(3,5-dichlorophenyl)-6-dodecoxy-7-methyl-3H-pyrazolo[1,5-b][1,2,4]triazole;6,7-dimethyl-2-[3-[(5-methyl-2-octoxyphenoxy)sulfinylamino]phenyl]-5H-pyrazolo[1,5-b][1,2,4]triazole;2-(2,4-dimethylphenoxy)-N-[2-(6-ethoxy-7-methyl-3H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)propyl]octanamide;2-[1-[(4-dodecoxyphenoxy)sulfinylamino]propan-2-yl]-6,7-dimethyl-5H-pyrazolo[1,5-b][1,2,4]triazole;N-[3-(6-ethoxy-7-methyl-3H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]octane-1-sulfonamide;7-methyl-6-(2-phenoxyethoxy)-2-pyridin-3-yl-3H-pyrazolo[1,5-b][1,2,4]triazole (PubChem CID 91173985) has the molecular formula C142H197Cl2N29O15S3 and a molecular weight of 2717.43 g/mol. Its IUPAC name is 2-(3,5-dichlorophenyl)-6-dodecoxy-7-methyl-3H-pyrazolo[1,5-b][1,2,4]triazole;6,7-dimethyl-2-[3-[(5-methyl-2-octoxyphenoxy)sulfinylamino]phenyl]-5H-pyrazolo[1,5-b][1,2,4]triazole;2-(2,4-dimethylphenoxy)-N-[2-(6-ethoxy-7-methyl-3H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)propyl]octanamide;2-[1-[(4-dodecoxyphenoxy)sulfinylamino]propan-2-yl]-6,7-dimethyl-5H-pyrazolo[1,5-b][1,2,4]triazole;N-[3-(6-ethoxy-7-methyl-3H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]octane-1-sulfonamide;7-methyl-6-(2-phenoxyethoxy)-2-pyridin-3-yl-3H-pyrazolo[1,5-b][1,2,4]triazole.

Molecular Properties

• Compound Name: 2-(3,5-dichlorophenyl)-6-dodecoxy-7-methyl-3H-pyrazolo[1,5-b][1,2,4]triazole;6,7-dimethyl-2-[3-[(5-methyl-2-octoxyphenoxy)sulfinylamino]phenyl]-5H-pyrazolo[1,5-b][1,2,4]triazole;2-(2,4-dimethylphenoxy)-N-[2-(6-ethoxy-7-methyl-3H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)propyl]octanamide;2-[1-[(4-dodecoxyphenoxy)sulfinylamino]propan-2-yl]-6,7-dimethyl-5H-pyrazolo[1,5-b][1,2,4]triazole;N-[3-(6-ethoxy-7-methyl-3H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]octane-1-sulfonamide;7-methyl-6-(2-phenoxyethoxy)-2-pyridin-3-yl-3H-pyrazolo[1,5-b][1,2,4]triazole
• PubChem CID: 91173985
• Molecular Formula: C142H197Cl2N29O15S3
• Molecular Weight: 2717.43 g/mol
• Exact Mass: 2714.41
• IUPAC Name: 2-(3,5-dichlorophenyl)-6-dodecoxy-7-methyl-3H-pyrazolo[1,5-b][1,2,4]triazole;6,7-dimethyl-2-[3-[(5-methyl-2-octoxyphenoxy)sulfinylamino]phenyl]-5H-pyrazolo[1,5-b][1,2,4]triazole;2-(2,4-dimethylphenoxy)-N-[2-(6-ethoxy-7-methyl-3H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)propyl]octanamide;2-[1-[(4-dodecoxyphenoxy)sulfinylamino]propan-2-yl]-6,7-dimethyl-5H-pyrazolo[1,5-b][1,2,4]triazole;N-[3-(6-ethoxy-7-methyl-3H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]octane-1-sulfonamide;7-methyl-6-(2-phenoxyethoxy)-2-pyridin-3-yl-3H-pyrazolo[1,5-b][1,2,4]triazole
• SMILES: CCCCCCC(Oc1ccc(C)cc1C)C(=O)NCC(C)c1nc2c(C)c(OCC)nn2[nH]1.CCCCCCCCCCCCOc1ccc(OS(=O)NCC(C)c2nc3c(C)c(C)[nH]n3n2)cc1.CCCCCCCCCCCCOc1nn2[nH]c(-c3cc(Cl)cc(Cl)c3)nc2c1C.CCCCCCCCOc1ccc(C)cc1OS(=O)Nc1cccc(-c2nc3c(C)c(C)[nH]n3n2)c1.CCCCCCCCS(=O)(=O)Nc1cccc(-c2nc3c(C)c(OCC)nn3[nH]2)c1.Cc1c(OCCOc2ccccc2)nn2[nH]c(-c3cccnc3)nc12
• InChI: InChI=1S/C27H35N5O3S.C27H43N5O3S.C26H39N5O3.C23H32Cl2N4O.C21H31N5O3S.C18H17N5O2/c1-5-6-7-8-9-10-16-34-24-15-14-19(2)17-25(24)35-36(33)31-23-13-11-12-22(18-23)26-28-27-20(3)21(4)29-32(27)30-26;1-5-6-7-8-9-10-11-12-13-14-19-34-24-15-17-25(18-16-24)35-36(33)28-20-21(2)26-29-27-22(3)23(4)30-32(27)31-26;1-7-9-10-11-12-22(34-21-14-13-17(3)15-18(21)4)25(32)27-16-19(5)23-28-24-20(6)26(33-8-2)30-31(24)29-23;1-3-4-5-6-7-8-9-10-11-12-13-30-23-17(2)22-26-21(27-29(22)28-23)18-14-19(24)16-20(25)15-18;1-4-6-7-8-9-10-14-30(27,28)25-18-13-11-12-17(15-18)19-22-20-16(3)21(29-5-2)24-26(20)23-19;1-13-17-20-16(14-6-5-9-19-12-14)21-23(17)22-18(13)25-11-10-24-15-7-3-2-4-8-15/h11-15,17-18,29,31H,5-10,16H2,1-4H3;15-18,21,28,30H,5-14,19-20H2,1-4H3;13-15,19,22H,7-12,16H2,1-6H3,(H,27,32)(H,28,29);14-16H,3-13H2,1-2H3,(H,26,27);11-13,15,25H,4-10,14H2,1-3H3,(H,22,23);2-9,12H,10-11H2,1H3,(H,20,21)
• InChIKey: HULTUWJIJKFVKT-UHFFFAOYSA-N
• XLogP: 32.86
• TPSA: 514.54 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 34
• Rotatable Bonds: 75
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2717.43
LogP ≤ 5	32.86
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenyl)-6-dodecoxy-7-methyl-3H-pyrazolo[1,5-b][1,2,4]triazole;6,7-dimethyl-2-[3-[(5-methyl-2-octoxyphenoxy)sulfinylamino]phenyl]-5H-pyrazolo[1,5-b][1,2,4]triazole;2-(2,4-dimethylphenoxy)-N-[2-(6-ethoxy-7-methyl-3H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)propyl]octanamide;2-[1-[(4-dodecoxyphenoxy)sulfinylamino]propan-2-yl]-6,7-dimethyl-5H-pyrazolo[1,5-b][1,2,4]triazole;N-[3-(6-ethoxy-7-methyl-3H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]octane-1-sulfonamide;7-methyl-6-(2-phenoxyethoxy)-2-pyridin-3-yl-3H-pyrazolo[1,5-b][1,2,4]triazole?

The IUPAC name of 2-(3,5-dichlorophenyl)-6-dodecoxy-7-methyl-3H-pyrazolo[1,5-b][1,2,4]triazole;6,7-dimethyl-2-[3-[(5-methyl-2-octoxyphenoxy)sulfinylamino]phenyl]-5H-pyrazolo[1,5-b][1,2,4]triazole;2-(2,4-dimethylphenoxy)-N-[2-(6-ethoxy-7-methyl-3H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)propyl]octanamide;2-[1-[(4-dodecoxyphenoxy)sulfinylamino]propan-2-yl]-6,7-dimethyl-5H-pyrazolo[1,5-b][1,2,4]triazole;N-[3-(6-ethoxy-7-methyl-3H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]octane-1-sulfonamide;7-methyl-6-(2-phenoxyethoxy)-2-pyridin-3-yl-3H-pyrazolo[1,5-b][1,2,4]triazole (CID 91173985) is 2-(3,5-dichlorophenyl)-6-dodecoxy-7-methyl-3H-pyrazolo[1,5-b][1,2,4]triazole;6,7-dimethyl-2-[3-[(5-methyl-2-octoxyphenoxy)sulfinylamino]phenyl]-5H-pyrazolo[1,5-b][1,2,4]triazole;2-(2,4-dimethylphenoxy)-N-[2-(6-ethoxy-7-methyl-3H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)propyl]octanamide;2-[1-[(4-dodecoxyphenoxy)sulfinylamino]propan-2-yl]-6,7-dimethyl-5H-pyrazolo[1,5-b][1,2,4]triazole;N-[3-(6-ethoxy-7-methyl-3H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]octane-1-sulfonamide;7-methyl-6-(2-phenoxyethoxy)-2-pyridin-3-yl-3H-pyrazolo[1,5-b][1,2,4]triazole.

What is the SMILES notation for 2-(3,5-dichlorophenyl)-6-dodecoxy-7-methyl-3H-pyrazolo[1,5-b][1,2,4]triazole;6,7-dimethyl-2-[3-[(5-methyl-2-octoxyphenoxy)sulfinylamino]phenyl]-5H-pyrazolo[1,5-b][1,2,4]triazole;2-(2,4-dimethylphenoxy)-N-[2-(6-ethoxy-7-methyl-3H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)propyl]octanamide;2-[1-[(4-dodecoxyphenoxy)sulfinylamino]propan-2-yl]-6,7-dimethyl-5H-pyrazolo[1,5-b][1,2,4]triazole;N-[3-(6-ethoxy-7-methyl-3H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]octane-1-sulfonamide;7-methyl-6-(2-phenoxyethoxy)-2-pyridin-3-yl-3H-pyrazolo[1,5-b][1,2,4]triazole?

The canonical SMILES for 2-(3,5-dichlorophenyl)-6-dodecoxy-7-methyl-3H-pyrazolo[1,5-b][1,2,4]triazole;6,7-dimethyl-2-[3-[(5-methyl-2-octoxyphenoxy)sulfinylamino]phenyl]-5H-pyrazolo[1,5-b][1,2,4]triazole;2-(2,4-dimethylphenoxy)-N-[2-(6-ethoxy-7-methyl-3H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)propyl]octanamide;2-[1-[(4-dodecoxyphenoxy)sulfinylamino]propan-2-yl]-6,7-dimethyl-5H-pyrazolo[1,5-b][1,2,4]triazole;N-[3-(6-ethoxy-7-methyl-3H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]octane-1-sulfonamide;7-methyl-6-(2-phenoxyethoxy)-2-pyridin-3-yl-3H-pyrazolo[1,5-b][1,2,4]triazole is CCCCCCC(Oc1ccc(C)cc1C)C(=O)NCC(C)c1nc2c(C)c(OCC)nn2[nH]1.CCCCCCCCCCCCOc1ccc(OS(=O)NCC(C)c2nc3c(C)c(C)[nH]n3n2)cc1.CCCCCCCCCCCCOc1nn2[nH]c(-c3cc(Cl)cc(Cl)c3)nc2c1C.CCCCCCCCOc1ccc(C)cc1OS(=O)Nc1cccc(-c2nc3c(C)c(C)[nH]n3n2)c1.CCCCCCCCS(=O)(=O)Nc1cccc(-c2nc3c(C)c(OCC)nn3[nH]2)c1.Cc1c(OCCOc2ccccc2)nn2[nH]c(-c3cccnc3)nc12.

What is the InChIKey of 2-(3,5-dichlorophenyl)-6-dodecoxy-7-methyl-3H-pyrazolo[1,5-b][1,2,4]triazole;6,7-dimethyl-2-[3-[(5-methyl-2-octoxyphenoxy)sulfinylamino]phenyl]-5H-pyrazolo[1,5-b][1,2,4]triazole;2-(2,4-dimethylphenoxy)-N-[2-(6-ethoxy-7-methyl-3H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)propyl]octanamide;2-[1-[(4-dodecoxyphenoxy)sulfinylamino]propan-2-yl]-6,7-dimethyl-5H-pyrazolo[1,5-b][1,2,4]triazole;N-[3-(6-ethoxy-7-methyl-3H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]octane-1-sulfonamide;7-methyl-6-(2-phenoxyethoxy)-2-pyridin-3-yl-3H-pyrazolo[1,5-b][1,2,4]triazole?

The InChIKey is HULTUWJIJKFVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N5O3S.C27H43N5O3S.C26H39N5O3.C23H32Cl2N4O.C21H31N5O3S.C18H17N5O2/c1-5-6-7-8-9-10-16-34-24-15-14-19(2)17-25(24)35-36(33)31-23-13-11-12-22(18-23)26-28-27-20(3)21(4)29-32(27)30-26;1-5-6-7-8-9-10-11-12-13-14-19-34-24-15-17-25(18-16-24)35-36(33)28-20-21(2)26-29-27-22(3)23(4)30-32(27)31-26;1-7-9-10-11-12-22(34-21-14-13-17(3)15-18(21)4)25(32)27-16-19(5)23-28-24-20(6)26(33-8-2)30-31(24)29-23;1-3-4-5-6-7-8-9-10-11-12-13-30-23-17(2)22-26-21(27-29(22)28-23)18-14-19(24)16-20(25)15-18;1-4-6-7-8-9-10-14-30(27,28)25-18-13-11-12-17(15-18)19-22-20-16(3)21(29-5-2)24-26(20)23-19;1-13-17-20-16(14-6-5-9-19-12-14)21-23(17)22-18(13)25-11-10-24-15-7-3-2-4-8-15/h11-15,17-18,29,31H,5-10,16H2,1-4H3;15-18,21,28,30H,5-14,19-20H2,1-4H3;13-15,19,22H,7-12,16H2,1-6H3,(H,27,32)(H,28,29);14-16H,3-13H2,1-2H3,(H,26,27);11-13,15,25H,4-10,14H2,1-3H3,(H,22,23);2-9,12H,10-11H2,1H3,(H,20,21).

What are the key properties of 2-(3,5-dichlorophenyl)-6-dodecoxy-7-methyl-3H-pyrazolo[1,5-b][1,2,4]triazole;6,7-dimethyl-2-[3-[(5-methyl-2-octoxyphenoxy)sulfinylamino]phenyl]-5H-pyrazolo[1,5-b][1,2,4]triazole;2-(2,4-dimethylphenoxy)-N-[2-(6-ethoxy-7-methyl-3H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)propyl]octanamide;2-[1-[(4-dodecoxyphenoxy)sulfinylamino]propan-2-yl]-6,7-dimethyl-5H-pyrazolo[1,5-b][1,2,4]triazole;N-[3-(6-ethoxy-7-methyl-3H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]octane-1-sulfonamide;7-methyl-6-(2-phenoxyethoxy)-2-pyridin-3-yl-3H-pyrazolo[1,5-b][1,2,4]triazole?

2-(3,5-dichlorophenyl)-6-dodecoxy-7-methyl-3H-pyrazolo[1,5-b][1,2,4]triazole;6,7-dimethyl-2-[3-[(5-methyl-2-octoxyphenoxy)sulfinylamino]phenyl]-5H-pyrazolo[1,5-b][1,2,4]triazole;2-(2,4-dimethylphenoxy)-N-[2-(6-ethoxy-7-methyl-3H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)propyl]octanamide;2-[1-[(4-dodecoxyphenoxy)sulfinylamino]propan-2-yl]-6,7-dimethyl-5H-pyrazolo[1,5-b][1,2,4]triazole;N-[3-(6-ethoxy-7-methyl-3H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]octane-1-sulfonamide;7-methyl-6-(2-phenoxyethoxy)-2-pyridin-3-yl-3H-pyrazolo[1,5-b][1,2,4]triazole has a molecular weight of 2717.43 g/mol, XLogP of 32.86, 75 rotatable bonds, 10 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,5-dichlorophenyl)-6-dodecoxy-7-methyl-3H-pyrazolo[1,5-b][1,2,4]triazole;6,7-dimethyl-2-[3-[(5-methyl-2-octoxyphenoxy)sulfinylamino]phenyl]-5H-pyrazolo[1,5-b][1,2,4]triazole;2-(2,4-dimethylphenoxy)-N-[2-(6-ethoxy-7-methyl-3H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)propyl]octanamide;2-[1-[(4-dodecoxyphenoxy)sulfinylamino]propan-2-yl]-6,7-dimethyl-5H-pyrazolo[1,5-b][1,2,4]triazole;N-[3-(6-ethoxy-7-methyl-3H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]octane-1-sulfonamide;7-methyl-6-(2-phenoxyethoxy)-2-pyridin-3-yl-3H-pyrazolo[1,5-b][1,2,4]triazole is sourced from PubChem (CID 91173985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).