7,8-bis(4-chlorophenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;ethyl 8-(4-chlorophenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;ethyl 8-(4-chlorophenyl)-7-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;4-methyl-7,8-diphenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid

C68H52Cl4N16O8 — CID 157372362

About 7,8-bis(4-chlorophenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;ethyl 8-(4-chlorophenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;ethyl 8-(4-chlorophenyl)-7-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;4-methyl-7,8-diphenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid

7,8-bis(4-chlorophenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;ethyl 8-(4-chlorophenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;ethyl 8-(4-chlorophenyl)-7-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;4-methyl-7,8-diphenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid (PubChem CID 157372362) has the molecular formula C68H52Cl4N16O8 and a molecular weight of 1363.08 g/mol. Its IUPAC name is 7,8-bis(4-chlorophenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;ethyl 8-(4-chlorophenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;ethyl 8-(4-chlorophenyl)-7-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;4-methyl-7,8-diphenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid.

Molecular Properties

• Compound Name: 7,8-bis(4-chlorophenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;ethyl 8-(4-chlorophenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;ethyl 8-(4-chlorophenyl)-7-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;4-methyl-7,8-diphenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid
• PubChem CID: 157372362
• Molecular Formula: C68H52Cl4N16O8
• Molecular Weight: 1363.08 g/mol
• Exact Mass: 1360.29
• IUPAC Name: 7,8-bis(4-chlorophenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;ethyl 8-(4-chlorophenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;ethyl 8-(4-chlorophenyl)-7-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;4-methyl-7,8-diphenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid
• SMILES: CCOC(=O)c1cn2nc(C)c(-c3ccc(Cl)cc3)c2nn1.CCOC(=O)c1nnc2c(-c3ccc(Cl)cc3)cnn2c1C.Cc1c(C(=O)O)nnc2c(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)nn12.Cc1c(C(=O)O)nnc2c(-c3ccccc3)c(-c3ccccc3)nn12
• InChI: InChI=1S/C19H12Cl2N4O2.C19H14N4O2.2C15H13ClN4O2/c1-10-16(19(26)27)22-23-18-15(11-2-6-13(20)7-3-11)17(24-25(10)18)12-4-8-14(21)9-5-12;1-12-16(19(24)25)20-21-18-15(13-8-4-2-5-9-13)17(22-23(12)18)14-10-6-3-7-11-14;1-3-22-15(21)12-8-20-14(18-17-12)13(9(2)19-20)10-4-6-11(16)7-5-10;1-3-22-15(21)13-9(2)20-14(19-18-13)12(8-17-20)10-4-6-11(16)7-5-10/h2-9H,1H3,(H,26,27);2-11H,1H3,(H,24,25);2*4-8H,3H2,1-2H3
• InChIKey: BJXLHOGIHYHANH-UHFFFAOYSA-N
• XLogP: 14.10
• TPSA: 299.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 22
• Rotatable Bonds: 12
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1363.08
LogP ≤ 5	14.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 7,8-bis(4-chlorophenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;ethyl 8-(4-chlorophenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;ethyl 8-(4-chlorophenyl)-7-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;4-methyl-7,8-diphenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid?

The IUPAC name of 7,8-bis(4-chlorophenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;ethyl 8-(4-chlorophenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;ethyl 8-(4-chlorophenyl)-7-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;4-methyl-7,8-diphenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid (CID 157372362) is 7,8-bis(4-chlorophenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;ethyl 8-(4-chlorophenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;ethyl 8-(4-chlorophenyl)-7-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;4-methyl-7,8-diphenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid.

What is the SMILES notation for 7,8-bis(4-chlorophenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;ethyl 8-(4-chlorophenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;ethyl 8-(4-chlorophenyl)-7-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;4-methyl-7,8-diphenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid?

The canonical SMILES for 7,8-bis(4-chlorophenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;ethyl 8-(4-chlorophenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;ethyl 8-(4-chlorophenyl)-7-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;4-methyl-7,8-diphenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid is CCOC(=O)c1cn2nc(C)c(-c3ccc(Cl)cc3)c2nn1.CCOC(=O)c1nnc2c(-c3ccc(Cl)cc3)cnn2c1C.Cc1c(C(=O)O)nnc2c(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)nn12.Cc1c(C(=O)O)nnc2c(-c3ccccc3)c(-c3ccccc3)nn12.

What is the InChIKey of 7,8-bis(4-chlorophenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;ethyl 8-(4-chlorophenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;ethyl 8-(4-chlorophenyl)-7-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;4-methyl-7,8-diphenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid?

The InChIKey is BJXLHOGIHYHANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2N4O2.C19H14N4O2.2C15H13ClN4O2/c1-10-16(19(26)27)22-23-18-15(11-2-6-13(20)7-3-11)17(24-25(10)18)12-4-8-14(21)9-5-12;1-12-16(19(24)25)20-21-18-15(13-8-4-2-5-9-13)17(22-23(12)18)14-10-6-3-7-11-14;1-3-22-15(21)12-8-20-14(18-17-12)13(9(2)19-20)10-4-6-11(16)7-5-10;1-3-22-15(21)13-9(2)20-14(19-18-13)12(8-17-20)10-4-6-11(16)7-5-10/h2-9H,1H3,(H,26,27);2-11H,1H3,(H,24,25);2*4-8H,3H2,1-2H3.

What are the key properties of 7,8-bis(4-chlorophenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;ethyl 8-(4-chlorophenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;ethyl 8-(4-chlorophenyl)-7-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;4-methyl-7,8-diphenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid?

7,8-bis(4-chlorophenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;ethyl 8-(4-chlorophenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;ethyl 8-(4-chlorophenyl)-7-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;4-methyl-7,8-diphenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid has a molecular weight of 1363.08 g/mol, XLogP of 14.10, 12 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 7,8-bis(4-chlorophenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;ethyl 8-(4-chlorophenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;ethyl 8-(4-chlorophenyl)-7-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;4-methyl-7,8-diphenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid is sourced from PubChem (CID 157372362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).