8-(3-chloro-4-ethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;8-(3,4-dichlorophenyl)-4,7-dimethyl-3-(methylsulfonylmethyl)pyrazolo[5,1-c][1,2,4]triazine;N-[8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-N-ethylsulfonylethanesulfonamide;8-(3,4-dichlorophenyl)-3-(ethylsulfonylmethyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine

C64H64Cl7N17O11S4 — CID 162028543

About 8-(3-chloro-4-ethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;8-(3,4-dichlorophenyl)-4,7-dimethyl-3-(methylsulfonylmethyl)pyrazolo[5,1-c][1,2,4]triazine;N-[8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-N-ethylsulfonylethanesulfonamide;8-(3,4-dichlorophenyl)-3-(ethylsulfonylmethyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine

8-(3-chloro-4-ethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;8-(3,4-dichlorophenyl)-4,7-dimethyl-3-(methylsulfonylmethyl)pyrazolo[5,1-c][1,2,4]triazine;N-[8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-N-ethylsulfonylethanesulfonamide;8-(3,4-dichlorophenyl)-3-(ethylsulfonylmethyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine (PubChem CID 162028543) has the molecular formula C64H64Cl7N17O11S4 and a molecular weight of 1623.76 g/mol. Its IUPAC name is 8-(3-chloro-4-ethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;8-(3,4-dichlorophenyl)-4,7-dimethyl-3-(methylsulfonylmethyl)pyrazolo[5,1-c][1,2,4]triazine;N-[8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-N-ethylsulfonylethanesulfonamide;8-(3,4-dichlorophenyl)-3-(ethylsulfonylmethyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine.

Molecular Properties

• Compound Name: 8-(3-chloro-4-ethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;8-(3,4-dichlorophenyl)-4,7-dimethyl-3-(methylsulfonylmethyl)pyrazolo[5,1-c][1,2,4]triazine;N-[8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-N-ethylsulfonylethanesulfonamide;8-(3,4-dichlorophenyl)-3-(ethylsulfonylmethyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine
• PubChem CID: 162028543
• Molecular Formula: C64H64Cl7N17O11S4
• Molecular Weight: 1623.76 g/mol
• Exact Mass: 1619.17
• IUPAC Name: 8-(3-chloro-4-ethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;8-(3,4-dichlorophenyl)-4,7-dimethyl-3-(methylsulfonylmethyl)pyrazolo[5,1-c][1,2,4]triazine;N-[8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-N-ethylsulfonylethanesulfonamide;8-(3,4-dichlorophenyl)-3-(ethylsulfonylmethyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine
• SMILES: CCOc1ccc(-c2c(C)nn3c(C)c(C(=O)O)nnc23)cc1Cl.CCS(=O)(=O)Cc1nnc2c(-c3ccc(Cl)c(Cl)c3)c(C)nn2c1C.CCS(=O)(=O)N(c1nnc2c(-c3ccc(Cl)c(Cl)c3)c(C)nn2c1C)S(=O)(=O)CC.Cc1nn2c(C)c(CS(C)(=O)=O)nnc2c1-c1ccc(Cl)c(Cl)c1
• InChI: InChI=1S/C17H19Cl2N5O4S2.C16H16Cl2N4O2S.C16H15ClN4O3.C15H14Cl2N4O2S/c1-5-29(25,26)24(30(27,28)6-2)16-11(4)23-17(21-20-16)15(10(3)22-23)12-7-8-13(18)14(19)9-12;1-4-25(23,24)8-14-10(3)22-16(20-19-14)15(9(2)21-22)11-5-6-12(17)13(18)7-11;1-4-24-12-6-5-10(7-11(12)17)13-8(2)20-21-9(3)14(16(22)23)18-19-15(13)21;1-8-14(10-4-5-11(16)12(17)6-10)15-19-18-13(7-24(3,22)23)9(2)21(15)20-8/h7-9H,5-6H2,1-4H3;5-7H,4,8H2,1-3H3;5-7H,4H2,1-3H3,(H,22,23);4-6H,7H2,1-3H3
• InChIKey: YVSCXJWNBFCQQS-UHFFFAOYSA-N
• XLogP: 13.29
• TPSA: 358.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 26
• Rotatable Bonds: 17
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1623.76
LogP ≤ 5	13.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 8-(3-chloro-4-ethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;8-(3,4-dichlorophenyl)-4,7-dimethyl-3-(methylsulfonylmethyl)pyrazolo[5,1-c][1,2,4]triazine;N-[8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-N-ethylsulfonylethanesulfonamide;8-(3,4-dichlorophenyl)-3-(ethylsulfonylmethyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine?

The IUPAC name of 8-(3-chloro-4-ethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;8-(3,4-dichlorophenyl)-4,7-dimethyl-3-(methylsulfonylmethyl)pyrazolo[5,1-c][1,2,4]triazine;N-[8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-N-ethylsulfonylethanesulfonamide;8-(3,4-dichlorophenyl)-3-(ethylsulfonylmethyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine (CID 162028543) is 8-(3-chloro-4-ethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;8-(3,4-dichlorophenyl)-4,7-dimethyl-3-(methylsulfonylmethyl)pyrazolo[5,1-c][1,2,4]triazine;N-[8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-N-ethylsulfonylethanesulfonamide;8-(3,4-dichlorophenyl)-3-(ethylsulfonylmethyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine.

What is the SMILES notation for 8-(3-chloro-4-ethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;8-(3,4-dichlorophenyl)-4,7-dimethyl-3-(methylsulfonylmethyl)pyrazolo[5,1-c][1,2,4]triazine;N-[8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-N-ethylsulfonylethanesulfonamide;8-(3,4-dichlorophenyl)-3-(ethylsulfonylmethyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine?

The canonical SMILES for 8-(3-chloro-4-ethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;8-(3,4-dichlorophenyl)-4,7-dimethyl-3-(methylsulfonylmethyl)pyrazolo[5,1-c][1,2,4]triazine;N-[8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-N-ethylsulfonylethanesulfonamide;8-(3,4-dichlorophenyl)-3-(ethylsulfonylmethyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine is CCOc1ccc(-c2c(C)nn3c(C)c(C(=O)O)nnc23)cc1Cl.CCS(=O)(=O)Cc1nnc2c(-c3ccc(Cl)c(Cl)c3)c(C)nn2c1C.CCS(=O)(=O)N(c1nnc2c(-c3ccc(Cl)c(Cl)c3)c(C)nn2c1C)S(=O)(=O)CC.Cc1nn2c(C)c(CS(C)(=O)=O)nnc2c1-c1ccc(Cl)c(Cl)c1.

What is the InChIKey of 8-(3-chloro-4-ethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;8-(3,4-dichlorophenyl)-4,7-dimethyl-3-(methylsulfonylmethyl)pyrazolo[5,1-c][1,2,4]triazine;N-[8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-N-ethylsulfonylethanesulfonamide;8-(3,4-dichlorophenyl)-3-(ethylsulfonylmethyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine?

The InChIKey is YVSCXJWNBFCQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N5O4S2.C16H16Cl2N4O2S.C16H15ClN4O3.C15H14Cl2N4O2S/c1-5-29(25,26)24(30(27,28)6-2)16-11(4)23-17(21-20-16)15(10(3)22-23)12-7-8-13(18)14(19)9-12;1-4-25(23,24)8-14-10(3)22-16(20-19-14)15(9(2)21-22)11-5-6-12(17)13(18)7-11;1-4-24-12-6-5-10(7-11(12)17)13-8(2)20-21-9(3)14(16(22)23)18-19-15(13)21;1-8-14(10-4-5-11(16)12(17)6-10)15-19-18-13(7-24(3,22)23)9(2)21(15)20-8/h7-9H,5-6H2,1-4H3;5-7H,4,8H2,1-3H3;5-7H,4H2,1-3H3,(H,22,23);4-6H,7H2,1-3H3.

What are the key properties of 8-(3-chloro-4-ethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;8-(3,4-dichlorophenyl)-4,7-dimethyl-3-(methylsulfonylmethyl)pyrazolo[5,1-c][1,2,4]triazine;N-[8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-N-ethylsulfonylethanesulfonamide;8-(3,4-dichlorophenyl)-3-(ethylsulfonylmethyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine?

8-(3-chloro-4-ethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;8-(3,4-dichlorophenyl)-4,7-dimethyl-3-(methylsulfonylmethyl)pyrazolo[5,1-c][1,2,4]triazine;N-[8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-N-ethylsulfonylethanesulfonamide;8-(3,4-dichlorophenyl)-3-(ethylsulfonylmethyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine has a molecular weight of 1623.76 g/mol, XLogP of 13.29, 17 rotatable bonds, 1 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(3-chloro-4-ethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;8-(3,4-dichlorophenyl)-4,7-dimethyl-3-(methylsulfonylmethyl)pyrazolo[5,1-c][1,2,4]triazine;N-[8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-N-ethylsulfonylethanesulfonamide;8-(3,4-dichlorophenyl)-3-(ethylsulfonylmethyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine is sourced from PubChem (CID 162028543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).