ethyl 8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;ethyl 8-(3,4-dimethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;ethyl 4,7-dimethyl-8-(4-propoxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;ethyl 8-(4-ethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate

C71H76Cl2N16O12 — CID 159508936

About ethyl 8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;ethyl 8-(3,4-dimethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;ethyl 4,7-dimethyl-8-(4-propoxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;ethyl 8-(4-ethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate

ethyl 8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;ethyl 8-(3,4-dimethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;ethyl 4,7-dimethyl-8-(4-propoxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;ethyl 8-(4-ethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate (PubChem CID 159508936) has the molecular formula C71H76Cl2N16O12 and a molecular weight of 1416.39 g/mol. Its IUPAC name is ethyl 8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;ethyl 8-(3,4-dimethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;ethyl 4,7-dimethyl-8-(4-propoxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;ethyl 8-(4-ethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate.

Molecular Properties

• Compound Name: ethyl 8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;ethyl 8-(3,4-dimethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;ethyl 4,7-dimethyl-8-(4-propoxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;ethyl 8-(4-ethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
• PubChem CID: 159508936
• Molecular Formula: C71H76Cl2N16O12
• Molecular Weight: 1416.39 g/mol
• Exact Mass: 1414.52
• IUPAC Name: ethyl 8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;ethyl 8-(3,4-dimethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;ethyl 4,7-dimethyl-8-(4-propoxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;ethyl 8-(4-ethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
• SMILES: CCCOc1ccc(-c2c(C)nn3c(C)c(C(=O)OCC)nnc23)cc1.CCOC(=O)c1nnc2c(-c3ccc(Cl)c(Cl)c3)c(C)nn2c1C.CCOC(=O)c1nnc2c(-c3ccc(OC)c(OC)c3)c(C)nn2c1C.CCOC(=O)c1nnc2c(-c3ccc(OCC)cc3)c(C)nn2c1C
• InChI: InChI=1S/C19H22N4O3.C18H20N4O4.C18H20N4O3.C16H14Cl2N4O2/c1-5-11-26-15-9-7-14(8-10-15)16-12(3)22-23-13(4)17(19(24)25-6-2)20-21-18(16)23;1-6-26-18(23)16-11(3)22-17(20-19-16)15(10(2)21-22)12-7-8-13(24-4)14(9-12)25-5;1-5-24-14-9-7-13(8-10-14)15-11(3)21-22-12(4)16(18(23)25-6-2)19-20-17(15)22;1-4-24-16(23)14-9(3)22-15(20-19-14)13(8(2)21-22)10-5-6-11(17)12(18)7-10/h7-10H,5-6,11H2,1-4H3;7-9H,6H2,1-5H3;7-10H,5-6H2,1-4H3;5-7H,4H2,1-3H3
• InChIKey: MAIXJFBNIAYQDS-UHFFFAOYSA-N
• XLogP: 12.85
• TPSA: 314.44 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 19
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1416.39
LogP ≤ 5	12.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethyl 8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;ethyl 8-(3,4-dimethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;ethyl 4,7-dimethyl-8-(4-propoxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;ethyl 8-(4-ethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate?

The IUPAC name of ethyl 8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;ethyl 8-(3,4-dimethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;ethyl 4,7-dimethyl-8-(4-propoxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;ethyl 8-(4-ethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate (CID 159508936) is ethyl 8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;ethyl 8-(3,4-dimethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;ethyl 4,7-dimethyl-8-(4-propoxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;ethyl 8-(4-ethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate.

What is the SMILES notation for ethyl 8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;ethyl 8-(3,4-dimethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;ethyl 4,7-dimethyl-8-(4-propoxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;ethyl 8-(4-ethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate?

The canonical SMILES for ethyl 8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;ethyl 8-(3,4-dimethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;ethyl 4,7-dimethyl-8-(4-propoxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;ethyl 8-(4-ethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate is CCCOc1ccc(-c2c(C)nn3c(C)c(C(=O)OCC)nnc23)cc1.CCOC(=O)c1nnc2c(-c3ccc(Cl)c(Cl)c3)c(C)nn2c1C.CCOC(=O)c1nnc2c(-c3ccc(OC)c(OC)c3)c(C)nn2c1C.CCOC(=O)c1nnc2c(-c3ccc(OCC)cc3)c(C)nn2c1C.

What is the InChIKey of ethyl 8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;ethyl 8-(3,4-dimethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;ethyl 4,7-dimethyl-8-(4-propoxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;ethyl 8-(4-ethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate?

The InChIKey is MAIXJFBNIAYQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3.C18H20N4O4.C18H20N4O3.C16H14Cl2N4O2/c1-5-11-26-15-9-7-14(8-10-15)16-12(3)22-23-13(4)17(19(24)25-6-2)20-21-18(16)23;1-6-26-18(23)16-11(3)22-17(20-19-16)15(10(2)21-22)12-7-8-13(24-4)14(9-12)25-5;1-5-24-14-9-7-13(8-10-14)15-11(3)21-22-12(4)16(18(23)25-6-2)19-20-17(15)22;1-4-24-16(23)14-9(3)22-15(20-19-14)13(8(2)21-22)10-5-6-11(17)12(18)7-10/h7-10H,5-6,11H2,1-4H3;7-9H,6H2,1-5H3;7-10H,5-6H2,1-4H3;5-7H,4H2,1-3H3.

What are the key properties of ethyl 8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;ethyl 8-(3,4-dimethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;ethyl 4,7-dimethyl-8-(4-propoxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;ethyl 8-(4-ethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate?

ethyl 8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;ethyl 8-(3,4-dimethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;ethyl 4,7-dimethyl-8-(4-propoxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;ethyl 8-(4-ethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate has a molecular weight of 1416.39 g/mol, XLogP of 12.85, 19 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;ethyl 8-(3,4-dimethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;ethyl 4,7-dimethyl-8-(4-propoxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;ethyl 8-(4-ethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate is sourced from PubChem (CID 159508936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).