8-(3,5-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;ethyl 8-(4-hydroxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;propan-2-yl 8-(4-chlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;propyl 8-(4-chlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate

C64H60Cl4N16O9 — CID 158093288

About 8-(3,5-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;ethyl 8-(4-hydroxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;propan-2-yl 8-(4-chlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;propyl 8-(4-chlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate

8-(3,5-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;ethyl 8-(4-hydroxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;propan-2-yl 8-(4-chlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;propyl 8-(4-chlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate (PubChem CID 158093288) has the molecular formula C64H60Cl4N16O9 and a molecular weight of 1339.10 g/mol. Its IUPAC name is 8-(3,5-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;ethyl 8-(4-hydroxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;propan-2-yl 8-(4-chlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;propyl 8-(4-chlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate.

Molecular Properties

• Compound Name: 8-(3,5-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;ethyl 8-(4-hydroxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;propan-2-yl 8-(4-chlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;propyl 8-(4-chlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
• PubChem CID: 158093288
• Molecular Formula: C64H60Cl4N16O9
• Molecular Weight: 1339.10 g/mol
• Exact Mass: 1336.35
• IUPAC Name: 8-(3,5-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;ethyl 8-(4-hydroxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;propan-2-yl 8-(4-chlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;propyl 8-(4-chlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
• SMILES: CCCOC(=O)c1nnc2c(-c3ccc(Cl)cc3)c(C)nn2c1C.CCOC(=O)c1nnc2c(-c3ccc(O)cc3)c(C)nn2c1C.Cc1nn2c(C)c(C(=O)O)nnc2c1-c1cc(Cl)cc(Cl)c1.Cc1nn2c(C)c(C(=O)OC(C)C)nnc2c1-c1ccc(Cl)cc1
• InChI: InChI=1S/2C17H17ClN4O2.C16H16N4O3.C14H10Cl2N4O2/c1-9(2)24-17(23)15-11(4)22-16(20-19-15)14(10(3)21-22)12-5-7-13(18)8-6-12;1-4-9-24-17(23)15-11(3)22-16(20-19-15)14(10(2)21-22)12-5-7-13(18)8-6-12;1-4-23-16(22)14-10(3)20-15(18-17-14)13(9(2)19-20)11-5-7-12(21)8-6-11;1-6-11(8-3-9(15)5-10(16)4-8)13-18-17-12(14(21)22)7(2)20(13)19-6/h5-9H,1-4H3;5-8H,4,9H2,1-3H3;5-8,21H,4H2,1-3H3;3-5H,1-2H3,(H,21,22)
• InChIKey: FOJDBYUJIMSVTQ-UHFFFAOYSA-N
• XLogP: 12.96
• TPSA: 308.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 24
• Rotatable Bonds: 12
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1339.10
LogP ≤ 5	12.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-(3,5-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;ethyl 8-(4-hydroxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;propan-2-yl 8-(4-chlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;propyl 8-(4-chlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate?

The IUPAC name of 8-(3,5-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;ethyl 8-(4-hydroxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;propan-2-yl 8-(4-chlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;propyl 8-(4-chlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate (CID 158093288) is 8-(3,5-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;ethyl 8-(4-hydroxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;propan-2-yl 8-(4-chlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;propyl 8-(4-chlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate.

What is the SMILES notation for 8-(3,5-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;ethyl 8-(4-hydroxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;propan-2-yl 8-(4-chlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;propyl 8-(4-chlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate?

The canonical SMILES for 8-(3,5-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;ethyl 8-(4-hydroxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;propan-2-yl 8-(4-chlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;propyl 8-(4-chlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate is CCCOC(=O)c1nnc2c(-c3ccc(Cl)cc3)c(C)nn2c1C.CCOC(=O)c1nnc2c(-c3ccc(O)cc3)c(C)nn2c1C.Cc1nn2c(C)c(C(=O)O)nnc2c1-c1cc(Cl)cc(Cl)c1.Cc1nn2c(C)c(C(=O)OC(C)C)nnc2c1-c1ccc(Cl)cc1.

What is the InChIKey of 8-(3,5-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;ethyl 8-(4-hydroxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;propan-2-yl 8-(4-chlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;propyl 8-(4-chlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate?

The InChIKey is FOJDBYUJIMSVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H17ClN4O2.C16H16N4O3.C14H10Cl2N4O2/c1-9(2)24-17(23)15-11(4)22-16(20-19-15)14(10(3)21-22)12-5-7-13(18)8-6-12;1-4-9-24-17(23)15-11(3)22-16(20-19-15)14(10(2)21-22)12-5-7-13(18)8-6-12;1-4-23-16(22)14-10(3)20-15(18-17-14)13(9(2)19-20)11-5-7-12(21)8-6-11;1-6-11(8-3-9(15)5-10(16)4-8)13-18-17-12(14(21)22)7(2)20(13)19-6/h5-9H,1-4H3;5-8H,4,9H2,1-3H3;5-8,21H,4H2,1-3H3;3-5H,1-2H3,(H,21,22).

What are the key properties of 8-(3,5-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;ethyl 8-(4-hydroxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;propan-2-yl 8-(4-chlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;propyl 8-(4-chlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate?

8-(3,5-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;ethyl 8-(4-hydroxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;propan-2-yl 8-(4-chlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;propyl 8-(4-chlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate has a molecular weight of 1339.10 g/mol, XLogP of 12.96, 12 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(3,5-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;ethyl 8-(4-hydroxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;propan-2-yl 8-(4-chlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;propyl 8-(4-chlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate is sourced from PubChem (CID 158093288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).