7-(2-chloro-N,6-dimethylanilino)-5-(4-chloro-3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;ethyl 5-chloro-7-(2-chloro-N,6-dimethylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5-chloro-7-(2-chloro-6-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 7-(2-chloro-N,6-dimethylanilino)-5-(4-chloro-3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-2-carboxylate

C86H71Cl10F2N19O10 — CID 157477461

About 7-(2-chloro-N,6-dimethylanilino)-5-(4-chloro-3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;ethyl 5-chloro-7-(2-chloro-N,6-dimethylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5-chloro-7-(2-chloro-6-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 7-(2-chloro-N,6-dimethylanilino)-5-(4-chloro-3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-2-carboxylate

7-(2-chloro-N,6-dimethylanilino)-5-(4-chloro-3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;ethyl 5-chloro-7-(2-chloro-N,6-dimethylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5-chloro-7-(2-chloro-6-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 7-(2-chloro-N,6-dimethylanilino)-5-(4-chloro-3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-2-carboxylate (PubChem CID 157477461) has the molecular formula C86H71Cl10F2N19O10 and a molecular weight of 1923.16 g/mol. Its IUPAC name is 7-(2-chloro-N,6-dimethylanilino)-5-(4-chloro-3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;ethyl 5-chloro-7-(2-chloro-N,6-dimethylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5-chloro-7-(2-chloro-6-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 7-(2-chloro-N,6-dimethylanilino)-5-(4-chloro-3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-2-carboxylate.

Molecular Properties

• Compound Name: 7-(2-chloro-N,6-dimethylanilino)-5-(4-chloro-3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;ethyl 5-chloro-7-(2-chloro-N,6-dimethylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5-chloro-7-(2-chloro-6-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 7-(2-chloro-N,6-dimethylanilino)-5-(4-chloro-3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-2-carboxylate
• PubChem CID: 157477461
• Molecular Formula: C86H71Cl10F2N19O10
• Molecular Weight: 1923.16 g/mol
• Exact Mass: 1917.25
• IUPAC Name: 7-(2-chloro-N,6-dimethylanilino)-5-(4-chloro-3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;ethyl 5-chloro-7-(2-chloro-N,6-dimethylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5-chloro-7-(2-chloro-6-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 7-(2-chloro-N,6-dimethylanilino)-5-(4-chloro-3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-2-carboxylate
• SMILES: CCOC(=O)c1cc2nc(-c3ccc(Cl)c(F)c3)cc(N(C)c3c(C)cccc3Cl)n2n1.CCOC(=O)c1cc2nc(Cl)cc(Cl)n2n1.CCOC(=O)c1cc2nc(Cl)cc(N(C)c3c(C)cccc3Cl)n2n1.CCOC(=O)c1cc2nc(Cl)cc(Nc3c(C)cccc3Cl)n2n1.Cc1cccc(Cl)c1N(C)c1cc(-c2ccc(Cl)c(F)c2)nc2cc(C(=O)O)nn12
• InChI: InChI=1S/C23H19Cl2FN4O2.C21H15Cl2FN4O2.C17H16Cl2N4O2.C16H14Cl2N4O2.C9H7Cl2N3O2/c1-4-32-23(31)19-11-20-27-18(14-8-9-15(24)17(26)10-14)12-21(30(20)28-19)29(3)22-13(2)6-5-7-16(22)25;1-11-4-3-5-14(23)20(11)27(2)19-10-16(12-6-7-13(22)15(24)8-12)25-18-9-17(21(29)30)26-28(18)19;1-4-25-17(24)12-8-14-20-13(19)9-15(23(14)21-12)22(3)16-10(2)6-5-7-11(16)18;1-3-24-16(23)11-7-13-19-12(18)8-14(22(13)21-11)20-15-9(2)5-4-6-10(15)17;1-2-16-9(15)5-3-8-12-6(10)4-7(11)14(8)13-5/h5-12H,4H2,1-3H3;3-10H,1-2H3,(H,29,30);5-9H,4H2,1-3H3;4-8,20H,3H2,1-2H3;3-4H,2H2,1H3
• InChIKey: BVTMIZAFHDPRKS-UHFFFAOYSA-N
• XLogP: 22.48
• TPSA: 315.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 28
• Rotatable Bonds: 19
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1923.16
LogP ≤ 5	22.48
H-Bond Donors ≤ 5	2
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 7-(2-chloro-N,6-dimethylanilino)-5-(4-chloro-3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;ethyl 5-chloro-7-(2-chloro-N,6-dimethylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5-chloro-7-(2-chloro-6-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 7-(2-chloro-N,6-dimethylanilino)-5-(4-chloro-3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-2-carboxylate?

The IUPAC name of 7-(2-chloro-N,6-dimethylanilino)-5-(4-chloro-3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;ethyl 5-chloro-7-(2-chloro-N,6-dimethylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5-chloro-7-(2-chloro-6-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 7-(2-chloro-N,6-dimethylanilino)-5-(4-chloro-3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-2-carboxylate (CID 157477461) is 7-(2-chloro-N,6-dimethylanilino)-5-(4-chloro-3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;ethyl 5-chloro-7-(2-chloro-N,6-dimethylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5-chloro-7-(2-chloro-6-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 7-(2-chloro-N,6-dimethylanilino)-5-(4-chloro-3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-2-carboxylate.

What is the SMILES notation for 7-(2-chloro-N,6-dimethylanilino)-5-(4-chloro-3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;ethyl 5-chloro-7-(2-chloro-N,6-dimethylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5-chloro-7-(2-chloro-6-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 7-(2-chloro-N,6-dimethylanilino)-5-(4-chloro-3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-2-carboxylate?

The canonical SMILES for 7-(2-chloro-N,6-dimethylanilino)-5-(4-chloro-3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;ethyl 5-chloro-7-(2-chloro-N,6-dimethylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5-chloro-7-(2-chloro-6-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 7-(2-chloro-N,6-dimethylanilino)-5-(4-chloro-3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-2-carboxylate is CCOC(=O)c1cc2nc(-c3ccc(Cl)c(F)c3)cc(N(C)c3c(C)cccc3Cl)n2n1.CCOC(=O)c1cc2nc(Cl)cc(Cl)n2n1.CCOC(=O)c1cc2nc(Cl)cc(N(C)c3c(C)cccc3Cl)n2n1.CCOC(=O)c1cc2nc(Cl)cc(Nc3c(C)cccc3Cl)n2n1.Cc1cccc(Cl)c1N(C)c1cc(-c2ccc(Cl)c(F)c2)nc2cc(C(=O)O)nn12.

What is the InChIKey of 7-(2-chloro-N,6-dimethylanilino)-5-(4-chloro-3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;ethyl 5-chloro-7-(2-chloro-N,6-dimethylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5-chloro-7-(2-chloro-6-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 7-(2-chloro-N,6-dimethylanilino)-5-(4-chloro-3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-2-carboxylate?

The InChIKey is BVTMIZAFHDPRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2FN4O2.C21H15Cl2FN4O2.C17H16Cl2N4O2.C16H14Cl2N4O2.C9H7Cl2N3O2/c1-4-32-23(31)19-11-20-27-18(14-8-9-15(24)17(26)10-14)12-21(30(20)28-19)29(3)22-13(2)6-5-7-16(22)25;1-11-4-3-5-14(23)20(11)27(2)19-10-16(12-6-7-13(22)15(24)8-12)25-18-9-17(21(29)30)26-28(18)19;1-4-25-17(24)12-8-14-20-13(19)9-15(23(14)21-12)22(3)16-10(2)6-5-7-11(16)18;1-3-24-16(23)11-7-13-19-12(18)8-14(22(13)21-11)20-15-9(2)5-4-6-10(15)17;1-2-16-9(15)5-3-8-12-6(10)4-7(11)14(8)13-5/h5-12H,4H2,1-3H3;3-10H,1-2H3,(H,29,30);5-9H,4H2,1-3H3;4-8,20H,3H2,1-2H3;3-4H,2H2,1H3.

What are the key properties of 7-(2-chloro-N,6-dimethylanilino)-5-(4-chloro-3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;ethyl 5-chloro-7-(2-chloro-N,6-dimethylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5-chloro-7-(2-chloro-6-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 7-(2-chloro-N,6-dimethylanilino)-5-(4-chloro-3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-2-carboxylate?

7-(2-chloro-N,6-dimethylanilino)-5-(4-chloro-3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;ethyl 5-chloro-7-(2-chloro-N,6-dimethylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5-chloro-7-(2-chloro-6-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 7-(2-chloro-N,6-dimethylanilino)-5-(4-chloro-3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-2-carboxylate has a molecular weight of 1923.16 g/mol, XLogP of 22.48, 19 rotatable bonds, 2 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(2-chloro-N,6-dimethylanilino)-5-(4-chloro-3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;ethyl 5-chloro-7-(2-chloro-N,6-dimethylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5-chloro-7-(2-chloro-6-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 7-(2-chloro-N,6-dimethylanilino)-5-(4-chloro-3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 157477461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).