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

C82H57Cl8F10N19O10 — CID 159872076

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

7-(2-chloro-6-fluoro-N-methylanilino)-5-(3,4,5-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;ethyl 5-chloro-7-(2-chloro-6-fluoroanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5-chloro-7-(2-chloro-6-fluoro-N-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 7-(2-chloro-6-fluoro-N-methylanilino)-5-(3,4,5-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-2-carboxylate (PubChem CID 159872076) has the molecular formula C82H57Cl8F10N19O10 and a molecular weight of 1942.08 g/mol. Its IUPAC name is 7-(2-chloro-6-fluoro-N-methylanilino)-5-(3,4,5-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;ethyl 5-chloro-7-(2-chloro-6-fluoroanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5-chloro-7-(2-chloro-6-fluoro-N-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 7-(2-chloro-6-fluoro-N-methylanilino)-5-(3,4,5-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-2-carboxylate.

Molecular Properties

• Compound Name: 7-(2-chloro-6-fluoro-N-methylanilino)-5-(3,4,5-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;ethyl 5-chloro-7-(2-chloro-6-fluoroanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5-chloro-7-(2-chloro-6-fluoro-N-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 7-(2-chloro-6-fluoro-N-methylanilino)-5-(3,4,5-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-2-carboxylate
• PubChem CID: 159872076
• Molecular Formula: C82H57Cl8F10N19O10
• Molecular Weight: 1942.08 g/mol
• Exact Mass: 1937.19
• IUPAC Name: 7-(2-chloro-6-fluoro-N-methylanilino)-5-(3,4,5-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;ethyl 5-chloro-7-(2-chloro-6-fluoroanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5-chloro-7-(2-chloro-6-fluoro-N-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 7-(2-chloro-6-fluoro-N-methylanilino)-5-(3,4,5-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-2-carboxylate
• SMILES: CCOC(=O)c1cc2nc(-c3cc(F)c(F)c(F)c3)cc(N(C)c3c(F)cccc3Cl)n2n1.CCOC(=O)c1cc2nc(Cl)cc(Cl)n2n1.CCOC(=O)c1cc2nc(Cl)cc(N(C)c3c(F)cccc3Cl)n2n1.CCOC(=O)c1cc2nc(Cl)cc(Nc3c(F)cccc3Cl)n2n1.CN(c1c(F)cccc1Cl)c1cc(-c2cc(F)c(F)c(F)c2)nc2cc(C(=O)O)nn12
• InChI: InChI=1S/C22H15ClF4N4O2.C20H11ClF4N4O2.C16H13Cl2FN4O2.C15H11Cl2FN4O2.C9H7Cl2N3O2/c1-3-33-22(32)17-9-18-28-16(11-7-14(25)20(27)15(26)8-11)10-19(31(18)29-17)30(2)21-12(23)5-4-6-13(21)24;1-28(19-10(21)3-2-4-11(19)22)17-8-14(9-5-12(23)18(25)13(24)6-9)26-16-7-15(20(30)31)27-29(16)17;1-3-25-16(24)11-7-13-20-12(18)8-14(23(13)21-11)22(2)15-9(17)5-4-6-10(15)19;1-2-24-15(23)10-6-12-19-11(17)7-13(22(12)21-10)20-14-8(16)4-3-5-9(14)18;1-2-16-9(15)5-3-8-12-6(10)4-7(11)14(8)13-5/h4-10H,3H2,1-2H3;2-8H,1H3,(H,30,31);4-8H,3H2,1-2H3;3-7,20H,2H2,1H3;3-4H,2H2,1H3
• InChIKey: NSMCDAZPJDKUKE-UHFFFAOYSA-N
• XLogP: 21.05
• TPSA: 315.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 28
• Rotatable Bonds: 19
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1942.08
LogP ≤ 5	21.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	28

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

The IUPAC name of 7-(2-chloro-6-fluoro-N-methylanilino)-5-(3,4,5-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;ethyl 5-chloro-7-(2-chloro-6-fluoroanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5-chloro-7-(2-chloro-6-fluoro-N-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 7-(2-chloro-6-fluoro-N-methylanilino)-5-(3,4,5-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-2-carboxylate (CID 159872076) is 7-(2-chloro-6-fluoro-N-methylanilino)-5-(3,4,5-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;ethyl 5-chloro-7-(2-chloro-6-fluoroanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5-chloro-7-(2-chloro-6-fluoro-N-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 7-(2-chloro-6-fluoro-N-methylanilino)-5-(3,4,5-trifluorophenyl)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-6-fluoro-N-methylanilino)-5-(3,4,5-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;ethyl 5-chloro-7-(2-chloro-6-fluoroanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5-chloro-7-(2-chloro-6-fluoro-N-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 7-(2-chloro-6-fluoro-N-methylanilino)-5-(3,4,5-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-2-carboxylate?

The canonical SMILES for 7-(2-chloro-6-fluoro-N-methylanilino)-5-(3,4,5-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;ethyl 5-chloro-7-(2-chloro-6-fluoroanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5-chloro-7-(2-chloro-6-fluoro-N-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 7-(2-chloro-6-fluoro-N-methylanilino)-5-(3,4,5-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-2-carboxylate is CCOC(=O)c1cc2nc(-c3cc(F)c(F)c(F)c3)cc(N(C)c3c(F)cccc3Cl)n2n1.CCOC(=O)c1cc2nc(Cl)cc(Cl)n2n1.CCOC(=O)c1cc2nc(Cl)cc(N(C)c3c(F)cccc3Cl)n2n1.CCOC(=O)c1cc2nc(Cl)cc(Nc3c(F)cccc3Cl)n2n1.CN(c1c(F)cccc1Cl)c1cc(-c2cc(F)c(F)c(F)c2)nc2cc(C(=O)O)nn12.

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

The InChIKey is NSMCDAZPJDKUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClF4N4O2.C20H11ClF4N4O2.C16H13Cl2FN4O2.C15H11Cl2FN4O2.C9H7Cl2N3O2/c1-3-33-22(32)17-9-18-28-16(11-7-14(25)20(27)15(26)8-11)10-19(31(18)29-17)30(2)21-12(23)5-4-6-13(21)24;1-28(19-10(21)3-2-4-11(19)22)17-8-14(9-5-12(23)18(25)13(24)6-9)26-16-7-15(20(30)31)27-29(16)17;1-3-25-16(24)11-7-13-20-12(18)8-14(23(13)21-11)22(2)15-9(17)5-4-6-10(15)19;1-2-24-15(23)10-6-12-19-11(17)7-13(22(12)21-10)20-14-8(16)4-3-5-9(14)18;1-2-16-9(15)5-3-8-12-6(10)4-7(11)14(8)13-5/h4-10H,3H2,1-2H3;2-8H,1H3,(H,30,31);4-8H,3H2,1-2H3;3-7,20H,2H2,1H3;3-4H,2H2,1H3.

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

7-(2-chloro-6-fluoro-N-methylanilino)-5-(3,4,5-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;ethyl 5-chloro-7-(2-chloro-6-fluoroanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5-chloro-7-(2-chloro-6-fluoro-N-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 7-(2-chloro-6-fluoro-N-methylanilino)-5-(3,4,5-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-2-carboxylate has a molecular weight of 1942.08 g/mol, XLogP of 21.05, 19 rotatable bonds, 2 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(2-chloro-6-fluoro-N-methylanilino)-5-(3,4,5-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;ethyl 5-chloro-7-(2-chloro-6-fluoroanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5-chloro-7-(2-chloro-6-fluoro-N-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 7-(2-chloro-6-fluoro-N-methylanilino)-5-(3,4,5-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 159872076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).