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

C74H55Cl10F2N19O10 — CID 161069634

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

5-chloro-7-(2-chloro-N-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;5-(4-chloro-3,5-difluorophenyl)-7-(2-chloro-N-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;ethyl 5-chloro-7-(2-chloroanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5-chloro-7-(2-chloro-N-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-2-carboxylate (PubChem CID 161069634) has the molecular formula C74H55Cl10F2N19O10 and a molecular weight of 1762.90 g/mol. Its IUPAC name is 5-chloro-7-(2-chloro-N-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;5-(4-chloro-3,5-difluorophenyl)-7-(2-chloro-N-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;ethyl 5-chloro-7-(2-chloroanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5-chloro-7-(2-chloro-N-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-2-carboxylate.

Molecular Properties

• Compound Name: 5-chloro-7-(2-chloro-N-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;5-(4-chloro-3,5-difluorophenyl)-7-(2-chloro-N-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;ethyl 5-chloro-7-(2-chloroanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5-chloro-7-(2-chloro-N-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-2-carboxylate
• PubChem CID: 161069634
• Molecular Formula: C74H55Cl10F2N19O10
• Molecular Weight: 1762.90 g/mol
• Exact Mass: 1757.12
• IUPAC Name: 5-chloro-7-(2-chloro-N-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;5-(4-chloro-3,5-difluorophenyl)-7-(2-chloro-N-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;ethyl 5-chloro-7-(2-chloroanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5-chloro-7-(2-chloro-N-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-2-carboxylate
• SMILES: CCOC(=O)c1cc2nc(Cl)cc(Cl)n2n1.CCOC(=O)c1cc2nc(Cl)cc(N(C)c3ccccc3Cl)n2n1.CCOC(=O)c1cc2nc(Cl)cc(Nc3ccccc3Cl)n2n1.CN(c1ccccc1Cl)c1cc(-c2cc(F)c(Cl)c(F)c2)nc2cc(C(=O)O)nn12.CN(c1ccccc1Cl)c1cc(Cl)nc2cc(C(=O)O)nn12
• InChI: InChI=1S/C20H12Cl2F2N4O2.C16H14Cl2N4O2.C15H12Cl2N4O2.C14H10Cl2N4O2.C9H7Cl2N3O2/c1-27(16-5-3-2-4-11(16)21)18-9-14(10-6-12(23)19(22)13(24)7-10)25-17-8-15(20(29)30)26-28(17)18;1-3-24-16(23)11-8-14-19-13(18)9-15(22(14)20-11)21(2)12-7-5-4-6-10(12)17;1-2-23-15(22)11-7-13-19-12(17)8-14(21(13)20-11)18-10-6-4-3-5-9(10)16;1-19(10-5-3-2-4-8(10)15)13-7-11(16)17-12-6-9(14(21)22)18-20(12)13;1-2-16-9(15)5-3-8-12-6(10)4-7(11)14(8)13-5/h2-9H,1H3,(H,29,30);4-9H,3H2,1-2H3;3-8,18H,2H2,1H3;2-7H,1H3,(H,21,22);3-4H,2H2,1H3
• InChIKey: UEMFHIUCFXIING-UHFFFAOYSA-N
• XLogP: 19.10
• TPSA: 326.20 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 27
• Rotatable Bonds: 17
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1762.90
LogP ≤ 5	19.10
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-(2-chloro-N-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;5-(4-chloro-3,5-difluorophenyl)-7-(2-chloro-N-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;ethyl 5-chloro-7-(2-chloroanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5-chloro-7-(2-chloro-N-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-2-carboxylate?

The IUPAC name of 5-chloro-7-(2-chloro-N-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;5-(4-chloro-3,5-difluorophenyl)-7-(2-chloro-N-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;ethyl 5-chloro-7-(2-chloroanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5-chloro-7-(2-chloro-N-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-2-carboxylate (CID 161069634) is 5-chloro-7-(2-chloro-N-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;5-(4-chloro-3,5-difluorophenyl)-7-(2-chloro-N-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;ethyl 5-chloro-7-(2-chloroanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5-chloro-7-(2-chloro-N-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-2-carboxylate.

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

The canonical SMILES for 5-chloro-7-(2-chloro-N-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;5-(4-chloro-3,5-difluorophenyl)-7-(2-chloro-N-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;ethyl 5-chloro-7-(2-chloroanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5-chloro-7-(2-chloro-N-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-2-carboxylate is CCOC(=O)c1cc2nc(Cl)cc(Cl)n2n1.CCOC(=O)c1cc2nc(Cl)cc(N(C)c3ccccc3Cl)n2n1.CCOC(=O)c1cc2nc(Cl)cc(Nc3ccccc3Cl)n2n1.CN(c1ccccc1Cl)c1cc(-c2cc(F)c(Cl)c(F)c2)nc2cc(C(=O)O)nn12.CN(c1ccccc1Cl)c1cc(Cl)nc2cc(C(=O)O)nn12.

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

The InChIKey is UEMFHIUCFXIING-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl2F2N4O2.C16H14Cl2N4O2.C15H12Cl2N4O2.C14H10Cl2N4O2.C9H7Cl2N3O2/c1-27(16-5-3-2-4-11(16)21)18-9-14(10-6-12(23)19(22)13(24)7-10)25-17-8-15(20(29)30)26-28(17)18;1-3-24-16(23)11-8-14-19-13(18)9-15(22(14)20-11)21(2)12-7-5-4-6-10(12)17;1-2-23-15(22)11-7-13-19-12(17)8-14(21(13)20-11)18-10-6-4-3-5-9(10)16;1-19(10-5-3-2-4-8(10)15)13-7-11(16)17-12-6-9(14(21)22)18-20(12)13;1-2-16-9(15)5-3-8-12-6(10)4-7(11)14(8)13-5/h2-9H,1H3,(H,29,30);4-9H,3H2,1-2H3;3-8,18H,2H2,1H3;2-7H,1H3,(H,21,22);3-4H,2H2,1H3.

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

5-chloro-7-(2-chloro-N-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;5-(4-chloro-3,5-difluorophenyl)-7-(2-chloro-N-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;ethyl 5-chloro-7-(2-chloroanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5-chloro-7-(2-chloro-N-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-2-carboxylate has a molecular weight of 1762.90 g/mol, XLogP of 19.10, 17 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-7-(2-chloro-N-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;5-(4-chloro-3,5-difluorophenyl)-7-(2-chloro-N-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;ethyl 5-chloro-7-(2-chloroanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5-chloro-7-(2-chloro-N-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 161069634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).