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

C90H81Cl4F6N19O14 — CID 160731163

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

ethyl 5-chloro-7-(2-methoxy-N,6-dimethylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5-chloro-7-(2-methoxy-6-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 7-(2-methoxy-N,6-dimethylanilino)-5-(3,4,5-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate;7-(2-methoxy-N,6-dimethylanilino)-5-(3,4,5-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (PubChem CID 160731163) has the molecular formula C90H81Cl4F6N19O14 and a molecular weight of 1908.56 g/mol. Its IUPAC name is ethyl 5-chloro-7-(2-methoxy-N,6-dimethylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5-chloro-7-(2-methoxy-6-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 7-(2-methoxy-N,6-dimethylanilino)-5-(3,4,5-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate;7-(2-methoxy-N,6-dimethylanilino)-5-(3,4,5-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.

Molecular Properties

• Compound Name: ethyl 5-chloro-7-(2-methoxy-N,6-dimethylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5-chloro-7-(2-methoxy-6-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 7-(2-methoxy-N,6-dimethylanilino)-5-(3,4,5-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate;7-(2-methoxy-N,6-dimethylanilino)-5-(3,4,5-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
• PubChem CID: 160731163
• Molecular Formula: C90H81Cl4F6N19O14
• Molecular Weight: 1908.56 g/mol
• Exact Mass: 1905.49
• IUPAC Name: ethyl 5-chloro-7-(2-methoxy-N,6-dimethylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5-chloro-7-(2-methoxy-6-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 7-(2-methoxy-N,6-dimethylanilino)-5-(3,4,5-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate;7-(2-methoxy-N,6-dimethylanilino)-5-(3,4,5-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
• SMILES: CCOC(=O)c1cc2nc(-c3cc(F)c(F)c(F)c3)cc(N(C)c3c(C)cccc3OC)n2n1.CCOC(=O)c1cc2nc(Cl)cc(Cl)n2n1.CCOC(=O)c1cc2nc(Cl)cc(N(C)c3c(C)cccc3OC)n2n1.CCOC(=O)c1cc2nc(Cl)cc(Nc3c(C)cccc3OC)n2n1.COc1cccc(C)c1N(C)c1cc(-c2cc(F)c(F)c(F)c2)nc2cc(C(=O)O)nn12
• InChI: InChI=1S/C24H21F3N4O3.C22H17F3N4O3.C18H19ClN4O3.C17H17ClN4O3.C9H7Cl2N3O2/c1-5-34-24(32)18-11-20-28-17(14-9-15(25)22(27)16(26)10-14)12-21(31(20)29-18)30(3)23-13(2)7-6-8-19(23)33-4;1-11-5-4-6-17(32-3)21(11)28(2)19-10-15(12-7-13(23)20(25)14(24)8-12)26-18-9-16(22(30)31)27-29(18)19;1-5-26-18(24)12-9-15-20-14(19)10-16(23(15)21-12)22(3)17-11(2)7-6-8-13(17)25-4;1-4-25-17(23)11-8-14-19-13(18)9-15(22(14)21-11)20-16-10(2)6-5-7-12(16)24-3;1-2-16-9(15)5-3-8-12-6(10)4-7(11)14(8)13-5/h6-12H,5H2,1-4H3;4-10H,1-3H3,(H,30,31);6-10H,5H2,1-4H3;5-9,20H,4H2,1-3H3;3-4H,2H2,1H3
• InChIKey: RUIXSGTWQFWVIA-UHFFFAOYSA-N
• XLogP: 19.15
• TPSA: 352.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 32
• Rotatable Bonds: 23
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1908.56
LogP ≤ 5	19.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	32

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

The IUPAC name of ethyl 5-chloro-7-(2-methoxy-N,6-dimethylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5-chloro-7-(2-methoxy-6-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 7-(2-methoxy-N,6-dimethylanilino)-5-(3,4,5-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate;7-(2-methoxy-N,6-dimethylanilino)-5-(3,4,5-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (CID 160731163) is ethyl 5-chloro-7-(2-methoxy-N,6-dimethylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5-chloro-7-(2-methoxy-6-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 7-(2-methoxy-N,6-dimethylanilino)-5-(3,4,5-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate;7-(2-methoxy-N,6-dimethylanilino)-5-(3,4,5-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.

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

The canonical SMILES for ethyl 5-chloro-7-(2-methoxy-N,6-dimethylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5-chloro-7-(2-methoxy-6-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 7-(2-methoxy-N,6-dimethylanilino)-5-(3,4,5-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate;7-(2-methoxy-N,6-dimethylanilino)-5-(3,4,5-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is CCOC(=O)c1cc2nc(-c3cc(F)c(F)c(F)c3)cc(N(C)c3c(C)cccc3OC)n2n1.CCOC(=O)c1cc2nc(Cl)cc(Cl)n2n1.CCOC(=O)c1cc2nc(Cl)cc(N(C)c3c(C)cccc3OC)n2n1.CCOC(=O)c1cc2nc(Cl)cc(Nc3c(C)cccc3OC)n2n1.COc1cccc(C)c1N(C)c1cc(-c2cc(F)c(F)c(F)c2)nc2cc(C(=O)O)nn12.

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

The InChIKey is RUIXSGTWQFWVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N4O3.C22H17F3N4O3.C18H19ClN4O3.C17H17ClN4O3.C9H7Cl2N3O2/c1-5-34-24(32)18-11-20-28-17(14-9-15(25)22(27)16(26)10-14)12-21(31(20)29-18)30(3)23-13(2)7-6-8-19(23)33-4;1-11-5-4-6-17(32-3)21(11)28(2)19-10-15(12-7-13(23)20(25)14(24)8-12)26-18-9-16(22(30)31)27-29(18)19;1-5-26-18(24)12-9-15-20-14(19)10-16(23(15)21-12)22(3)17-11(2)7-6-8-13(17)25-4;1-4-25-17(23)11-8-14-19-13(18)9-15(22(14)21-11)20-16-10(2)6-5-7-12(16)24-3;1-2-16-9(15)5-3-8-12-6(10)4-7(11)14(8)13-5/h6-12H,5H2,1-4H3;4-10H,1-3H3,(H,30,31);6-10H,5H2,1-4H3;5-9,20H,4H2,1-3H3;3-4H,2H2,1H3.

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

ethyl 5-chloro-7-(2-methoxy-N,6-dimethylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5-chloro-7-(2-methoxy-6-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 7-(2-methoxy-N,6-dimethylanilino)-5-(3,4,5-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate;7-(2-methoxy-N,6-dimethylanilino)-5-(3,4,5-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid has a molecular weight of 1908.56 g/mol, XLogP of 19.15, 23 rotatable bonds, 2 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 5-chloro-7-(2-methoxy-N,6-dimethylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5-chloro-7-(2-methoxy-6-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 7-(2-methoxy-N,6-dimethylanilino)-5-(3,4,5-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate;7-(2-methoxy-N,6-dimethylanilino)-5-(3,4,5-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 160731163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).