8-(4-chloro-3-propoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;8-(4-cyclopentyloxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;ethyl 8-(4-chloro-3-propoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;ethyl 8-(4-cyclopentyloxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate

C76H82Cl2N16O12 — CID 159707172

About 8-(4-chloro-3-propoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;8-(4-cyclopentyloxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;ethyl 8-(4-chloro-3-propoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;ethyl 8-(4-cyclopentyloxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate

8-(4-chloro-3-propoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;8-(4-cyclopentyloxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;ethyl 8-(4-chloro-3-propoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;ethyl 8-(4-cyclopentyloxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate (PubChem CID 159707172) has the molecular formula C76H82Cl2N16O12 and a molecular weight of 1482.50 g/mol. Its IUPAC name is 8-(4-chloro-3-propoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;8-(4-cyclopentyloxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;ethyl 8-(4-chloro-3-propoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;ethyl 8-(4-cyclopentyloxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate.

Molecular Properties

• Compound Name: 8-(4-chloro-3-propoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;8-(4-cyclopentyloxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;ethyl 8-(4-chloro-3-propoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;ethyl 8-(4-cyclopentyloxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
• PubChem CID: 159707172
• Molecular Formula: C76H82Cl2N16O12
• Molecular Weight: 1482.50 g/mol
• Exact Mass: 1480.57
• IUPAC Name: 8-(4-chloro-3-propoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;8-(4-cyclopentyloxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;ethyl 8-(4-chloro-3-propoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;ethyl 8-(4-cyclopentyloxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
• SMILES: CCCOc1cc(-c2c(C)nn3c(C)c(C(=O)O)nnc23)ccc1Cl.CCCOc1cc(-c2c(C)nn3c(C)c(C(=O)OCC)nnc23)ccc1Cl.CCOC(=O)c1nnc2c(-c3ccc(OC4CCCC4)cc3)c(C)nn2c1C.Cc1nn2c(C)c(C(=O)O)nnc2c1-c1ccc(OC2CCCC2)cc1
• InChI: InChI=1S/C21H24N4O3.C19H21ClN4O3.C19H20N4O3.C17H17ClN4O3/c1-4-27-21(26)19-14(3)25-20(23-22-19)18(13(2)24-25)15-9-11-17(12-10-15)28-16-7-5-6-8-16;1-5-9-27-15-10-13(7-8-14(15)20)16-11(3)23-24-12(4)17(19(25)26-6-2)21-22-18(16)24;1-11-16(18-21-20-17(19(24)25)12(2)23(18)22-11)13-7-9-15(10-8-13)26-14-5-3-4-6-14;1-4-7-25-13-8-11(5-6-12(13)18)14-9(2)21-22-10(3)15(17(23)24)19-20-16(14)22/h9-12,16H,4-8H2,1-3H3;7-8,10H,5-6,9H2,1-4H3;7-10,14H,3-6H2,1-2H3,(H,24,25);5-6,8H,4,7H2,1-3H3,(H,23,24)
• InChIKey: MYIZGGDHNHDBGC-UHFFFAOYSA-N
• XLogP: 14.91
• TPSA: 336.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 26
• Rotatable Bonds: 20
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1482.50
LogP ≤ 5	14.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 8-(4-chloro-3-propoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;8-(4-cyclopentyloxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;ethyl 8-(4-chloro-3-propoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;ethyl 8-(4-cyclopentyloxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate?

The IUPAC name of 8-(4-chloro-3-propoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;8-(4-cyclopentyloxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;ethyl 8-(4-chloro-3-propoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;ethyl 8-(4-cyclopentyloxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate (CID 159707172) is 8-(4-chloro-3-propoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;8-(4-cyclopentyloxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;ethyl 8-(4-chloro-3-propoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;ethyl 8-(4-cyclopentyloxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate.

What is the SMILES notation for 8-(4-chloro-3-propoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;8-(4-cyclopentyloxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;ethyl 8-(4-chloro-3-propoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;ethyl 8-(4-cyclopentyloxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate?

The canonical SMILES for 8-(4-chloro-3-propoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;8-(4-cyclopentyloxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;ethyl 8-(4-chloro-3-propoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;ethyl 8-(4-cyclopentyloxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate is CCCOc1cc(-c2c(C)nn3c(C)c(C(=O)O)nnc23)ccc1Cl.CCCOc1cc(-c2c(C)nn3c(C)c(C(=O)OCC)nnc23)ccc1Cl.CCOC(=O)c1nnc2c(-c3ccc(OC4CCCC4)cc3)c(C)nn2c1C.Cc1nn2c(C)c(C(=O)O)nnc2c1-c1ccc(OC2CCCC2)cc1.

What is the InChIKey of 8-(4-chloro-3-propoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;8-(4-cyclopentyloxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;ethyl 8-(4-chloro-3-propoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;ethyl 8-(4-cyclopentyloxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate?

The InChIKey is MYIZGGDHNHDBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3.C19H21ClN4O3.C19H20N4O3.C17H17ClN4O3/c1-4-27-21(26)19-14(3)25-20(23-22-19)18(13(2)24-25)15-9-11-17(12-10-15)28-16-7-5-6-8-16;1-5-9-27-15-10-13(7-8-14(15)20)16-11(3)23-24-12(4)17(19(25)26-6-2)21-22-18(16)24;1-11-16(18-21-20-17(19(24)25)12(2)23(18)22-11)13-7-9-15(10-8-13)26-14-5-3-4-6-14;1-4-7-25-13-8-11(5-6-12(13)18)14-9(2)21-22-10(3)15(17(23)24)19-20-16(14)22/h9-12,16H,4-8H2,1-3H3;7-8,10H,5-6,9H2,1-4H3;7-10,14H,3-6H2,1-2H3,(H,24,25);5-6,8H,4,7H2,1-3H3,(H,23,24).

What are the key properties of 8-(4-chloro-3-propoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;8-(4-cyclopentyloxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;ethyl 8-(4-chloro-3-propoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;ethyl 8-(4-cyclopentyloxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate?

8-(4-chloro-3-propoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;8-(4-cyclopentyloxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;ethyl 8-(4-chloro-3-propoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;ethyl 8-(4-cyclopentyloxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate has a molecular weight of 1482.50 g/mol, XLogP of 14.91, 20 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(4-chloro-3-propoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;8-(4-cyclopentyloxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;ethyl 8-(4-chloro-3-propoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;ethyl 8-(4-cyclopentyloxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate is sourced from PubChem (CID 159707172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).