2-(3H-benzimidazol-5-yl)-7-ethylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(1-methylbenzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(2-methylquinolin-6-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(4-nitrophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(6-oxo-5H-naphthalen-2-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-quinolin-6-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid

C104H85N25O15 — CID 161079749

About 2-(3H-benzimidazol-5-yl)-7-ethylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(1-methylbenzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(2-methylquinolin-6-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(4-nitrophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(6-oxo-5H-naphthalen-2-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-quinolin-6-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid

2-(3H-benzimidazol-5-yl)-7-ethylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(1-methylbenzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(2-methylquinolin-6-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(4-nitrophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(6-oxo-5H-naphthalen-2-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-quinolin-6-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid (PubChem CID 161079749) has the molecular formula C104H85N25O15 and a molecular weight of 1924.98 g/mol. Its IUPAC name is 2-(3H-benzimidazol-5-yl)-7-ethylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(1-methylbenzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(2-methylquinolin-6-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(4-nitrophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(6-oxo-5H-naphthalen-2-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-quinolin-6-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid.

Molecular Properties

• Compound Name: 2-(3H-benzimidazol-5-yl)-7-ethylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(1-methylbenzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(2-methylquinolin-6-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(4-nitrophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(6-oxo-5H-naphthalen-2-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-quinolin-6-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
• PubChem CID: 161079749
• Molecular Formula: C104H85N25O15
• Molecular Weight: 1924.98 g/mol
• Exact Mass: 1923.67
• IUPAC Name: 2-(3H-benzimidazol-5-yl)-7-ethylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(1-methylbenzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(2-methylquinolin-6-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(4-nitrophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(6-oxo-5H-naphthalen-2-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-quinolin-6-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
• SMILES: CCc1cc(C(=O)O)nc2cc(-c3ccc([N+](=O)[O-])cc3)nn12.CCc1cc(C(=O)O)nc2cc(-c3ccc4c(c3)C=CC(=O)C4)nn12.CCc1cc(C(=O)O)nc2cc(-c3ccc4c(c3)ncn4C)nn12.CCc1cc(C(=O)O)nc2cc(-c3ccc4nc(C)ccc4c3)nn12.CCc1cc(C(=O)O)nc2cc(-c3ccc4nc[nH]c4c3)nn12.CCc1cc(C(=O)O)nc2cc(-c3ccc4ncccc4c3)nn12
• InChI: InChI=1S/C19H16N4O2.C19H15N3O3.C18H14N4O2.C17H15N5O2.C16H13N5O2.C15H12N4O4/c1-3-14-9-17(19(24)25)21-18-10-16(22-23(14)18)13-6-7-15-12(8-13)5-4-11(2)20-15;1-2-14-9-17(19(24)25)20-18-10-16(21-22(14)18)13-4-3-12-8-15(23)6-5-11(12)7-13;1-2-13-9-16(18(23)24)20-17-10-15(21-22(13)17)12-5-6-14-11(8-12)4-3-7-19-14;1-3-11-7-14(17(23)24)19-16-8-12(20-22(11)16)10-4-5-15-13(6-10)18-9-21(15)2;1-2-10-6-14(16(22)23)19-15-7-12(20-21(10)15)9-3-4-11-13(5-9)18-8-17-11;1-2-10-7-13(15(20)21)16-14-8-12(17-18(10)14)9-3-5-11(6-4-9)19(22)23/h4-10H,3H2,1-2H3,(H,24,25);3-7,9-10H,2,8H2,1H3,(H,24,25);3-10H,2H2,1H3,(H,23,24);4-9H,3H2,1-2H3,(H,23,24);3-8H,2H2,1H3,(H,17,18)(H,22,23);3-8H,2H2,1H3,(H,20,21)
• InChIKey: UFTHTYUEVDYTOQ-UHFFFAOYSA-N
• XLogP: 17.16
• TPSA: 537.43 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 32
• Rotatable Bonds: 19
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1924.98
LogP ≤ 5	17.16
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(3H-benzimidazol-5-yl)-7-ethylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(1-methylbenzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(2-methylquinolin-6-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(4-nitrophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(6-oxo-5H-naphthalen-2-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-quinolin-6-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?

The IUPAC name of 2-(3H-benzimidazol-5-yl)-7-ethylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(1-methylbenzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(2-methylquinolin-6-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(4-nitrophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(6-oxo-5H-naphthalen-2-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-quinolin-6-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid (CID 161079749) is 2-(3H-benzimidazol-5-yl)-7-ethylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(1-methylbenzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(2-methylquinolin-6-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(4-nitrophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(6-oxo-5H-naphthalen-2-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-quinolin-6-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid.

What is the SMILES notation for 2-(3H-benzimidazol-5-yl)-7-ethylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(1-methylbenzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(2-methylquinolin-6-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(4-nitrophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(6-oxo-5H-naphthalen-2-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-quinolin-6-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?

The canonical SMILES for 2-(3H-benzimidazol-5-yl)-7-ethylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(1-methylbenzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(2-methylquinolin-6-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(4-nitrophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(6-oxo-5H-naphthalen-2-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-quinolin-6-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid is CCc1cc(C(=O)O)nc2cc(-c3ccc([N+](=O)[O-])cc3)nn12.CCc1cc(C(=O)O)nc2cc(-c3ccc4c(c3)C=CC(=O)C4)nn12.CCc1cc(C(=O)O)nc2cc(-c3ccc4c(c3)ncn4C)nn12.CCc1cc(C(=O)O)nc2cc(-c3ccc4nc(C)ccc4c3)nn12.CCc1cc(C(=O)O)nc2cc(-c3ccc4nc[nH]c4c3)nn12.CCc1cc(C(=O)O)nc2cc(-c3ccc4ncccc4c3)nn12.

What is the InChIKey of 2-(3H-benzimidazol-5-yl)-7-ethylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(1-methylbenzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(2-methylquinolin-6-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(4-nitrophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(6-oxo-5H-naphthalen-2-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-quinolin-6-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?

The InChIKey is UFTHTYUEVDYTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2.C19H15N3O3.C18H14N4O2.C17H15N5O2.C16H13N5O2.C15H12N4O4/c1-3-14-9-17(19(24)25)21-18-10-16(22-23(14)18)13-6-7-15-12(8-13)5-4-11(2)20-15;1-2-14-9-17(19(24)25)20-18-10-16(21-22(14)18)13-4-3-12-8-15(23)6-5-11(12)7-13;1-2-13-9-16(18(23)24)20-17-10-15(21-22(13)17)12-5-6-14-11(8-12)4-3-7-19-14;1-3-11-7-14(17(23)24)19-16-8-12(20-22(11)16)10-4-5-15-13(6-10)18-9-21(15)2;1-2-10-6-14(16(22)23)19-15-7-12(20-21(10)15)9-3-4-11-13(5-9)18-8-17-11;1-2-10-7-13(15(20)21)16-14-8-12(17-18(10)14)9-3-5-11(6-4-9)19(22)23/h4-10H,3H2,1-2H3,(H,24,25);3-7,9-10H,2,8H2,1H3,(H,24,25);3-10H,2H2,1H3,(H,23,24);4-9H,3H2,1-2H3,(H,23,24);3-8H,2H2,1H3,(H,17,18)(H,22,23);3-8H,2H2,1H3,(H,20,21).

What are the key properties of 2-(3H-benzimidazol-5-yl)-7-ethylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(1-methylbenzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(2-methylquinolin-6-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(4-nitrophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(6-oxo-5H-naphthalen-2-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-quinolin-6-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?

2-(3H-benzimidazol-5-yl)-7-ethylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(1-methylbenzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(2-methylquinolin-6-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(4-nitrophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(6-oxo-5H-naphthalen-2-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-quinolin-6-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid has a molecular weight of 1924.98 g/mol, XLogP of 17.16, 19 rotatable bonds, 7 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3H-benzimidazol-5-yl)-7-ethylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(1-methylbenzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(2-methylquinolin-6-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(4-nitrophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(6-oxo-5H-naphthalen-2-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-quinolin-6-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 161079749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).