3-acetyl-7-hydroxy-6-methoxy-4H-pyrazolo[1,5-a]pyrimidin-5-one;2-aminoethanol;8-chloro-13-[(4-methoxyphenyl)methyl]-10-oxa-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-5-carboxylic acid;1-(5,7-dichloro-6-methylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone;ethyl 5-amino-1H-pyrazole-4-carboxylate;ethyl 5-chloro-7-(2-hydroxyethylamino)-6-methoxypyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-chloro-6-hydroxy-7-(2-hydroxyethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate;methyl 2-methoxy-3-oxobutanoate

C72H85Cl5N22O24 — CID 159486100

About 3-acetyl-7-hydroxy-6-methoxy-4H-pyrazolo[1,5-a]pyrimidin-5-one;2-aminoethanol;8-chloro-13-[(4-methoxyphenyl)methyl]-10-oxa-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-5-carboxylic acid;1-(5,7-dichloro-6-methylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone;ethyl 5-amino-1H-pyrazole-4-carboxylate;ethyl 5-chloro-7-(2-hydroxyethylamino)-6-methoxypyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-chloro-6-hydroxy-7-(2-hydroxyethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate;methyl 2-methoxy-3-oxobutanoate

3-acetyl-7-hydroxy-6-methoxy-4H-pyrazolo[1,5-a]pyrimidin-5-one;2-aminoethanol;8-chloro-13-[(4-methoxyphenyl)methyl]-10-oxa-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-5-carboxylic acid;1-(5,7-dichloro-6-methylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone;ethyl 5-amino-1H-pyrazole-4-carboxylate;ethyl 5-chloro-7-(2-hydroxyethylamino)-6-methoxypyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-chloro-6-hydroxy-7-(2-hydroxyethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate;methyl 2-methoxy-3-oxobutanoate (PubChem CID 159486100) has the molecular formula C72H85Cl5N22O24 and a molecular weight of 1819.87 g/mol. Its IUPAC name is 3-acetyl-7-hydroxy-6-methoxy-4H-pyrazolo[1,5-a]pyrimidin-5-one;2-aminoethanol;8-chloro-13-[(4-methoxyphenyl)methyl]-10-oxa-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-5-carboxylic acid;1-(5,7-dichloro-6-methylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone;ethyl 5-amino-1H-pyrazole-4-carboxylate;ethyl 5-chloro-7-(2-hydroxyethylamino)-6-methoxypyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-chloro-6-hydroxy-7-(2-hydroxyethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate;methyl 2-methoxy-3-oxobutanoate.

Molecular Properties

• Compound Name: 3-acetyl-7-hydroxy-6-methoxy-4H-pyrazolo[1,5-a]pyrimidin-5-one;2-aminoethanol;8-chloro-13-[(4-methoxyphenyl)methyl]-10-oxa-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-5-carboxylic acid;1-(5,7-dichloro-6-methylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone;ethyl 5-amino-1H-pyrazole-4-carboxylate;ethyl 5-chloro-7-(2-hydroxyethylamino)-6-methoxypyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-chloro-6-hydroxy-7-(2-hydroxyethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate;methyl 2-methoxy-3-oxobutanoate
• PubChem CID: 159486100
• Molecular Formula: C72H85Cl5N22O24
• Molecular Weight: 1819.87 g/mol
• Exact Mass: 1816.45
• IUPAC Name: 3-acetyl-7-hydroxy-6-methoxy-4H-pyrazolo[1,5-a]pyrimidin-5-one;2-aminoethanol;8-chloro-13-[(4-methoxyphenyl)methyl]-10-oxa-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-5-carboxylic acid;1-(5,7-dichloro-6-methylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone;ethyl 5-amino-1H-pyrazole-4-carboxylate;ethyl 5-chloro-7-(2-hydroxyethylamino)-6-methoxypyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-chloro-6-hydroxy-7-(2-hydroxyethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate;methyl 2-methoxy-3-oxobutanoate
• SMILES: CC(=O)c1cnn2c(Cl)c(C)c(Cl)nc12.CCOC(=O)c1cn[nH]c1N.CCOC(=O)c1cnn2c(NCCO)c(O)c(Cl)nc12.CCOC(=O)c1cnn2c(NCCO)c(OC)c(Cl)nc12.COC(=O)C(OC)C(C)=O.COc1c(O)n2ncc(C(C)=O)c2[nH]c1=O.COc1ccc(CN2CCOc3c(Cl)nc4c(C(=O)O)cnn4c32)cc1.NCCO
• InChI: InChI=1S/C17H15ClN4O4.C12H15ClN4O4.C11H13ClN4O4.C9H7Cl2N3O.C9H9N3O4.C6H9N3O2.C6H10O4.C2H7NO/c1-25-11-4-2-10(3-5-11)9-21-6-7-26-13-14(18)20-15-12(17(23)24)8-19-22(15)16(13)21;1-3-21-12(19)7-6-15-17-10(7)16-9(13)8(20-2)11(17)14-4-5-18;1-2-20-11(19)6-5-14-16-9(6)15-8(12)7(18)10(16)13-3-4-17;1-4-7(10)13-9-6(5(2)15)3-12-14(9)8(4)11;1-4(13)5-3-10-12-7(5)11-8(14)6(16-2)9(12)15;1-2-11-6(10)4-3-8-9-5(4)7;1-4(7)5(9-2)6(8)10-3;3-1-2-4/h2-5,8H,6-7,9H2,1H3,(H,23,24);6,14,18H,3-5H2,1-2H3;5,13,17-18H,2-4H2,1H3;3H,1-2H3;3,15H,1-2H3,(H,11,14);3H,2H2,1H3,(H3,7,8,9);5H,1-3H3;4H,1-3H2
• InChIKey: LXPIGILLAHCTKX-UHFFFAOYSA-N
• XLogP: 5.49
• TPSA: 619.95 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 43
• Rotatable Bonds: 24
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1819.87
LogP ≤ 5	5.49
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-7-hydroxy-6-methoxy-4H-pyrazolo[1,5-a]pyrimidin-5-one;2-aminoethanol;8-chloro-13-[(4-methoxyphenyl)methyl]-10-oxa-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-5-carboxylic acid;1-(5,7-dichloro-6-methylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone;ethyl 5-amino-1H-pyrazole-4-carboxylate;ethyl 5-chloro-7-(2-hydroxyethylamino)-6-methoxypyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-chloro-6-hydroxy-7-(2-hydroxyethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate;methyl 2-methoxy-3-oxobutanoate?

The IUPAC name of 3-acetyl-7-hydroxy-6-methoxy-4H-pyrazolo[1,5-a]pyrimidin-5-one;2-aminoethanol;8-chloro-13-[(4-methoxyphenyl)methyl]-10-oxa-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-5-carboxylic acid;1-(5,7-dichloro-6-methylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone;ethyl 5-amino-1H-pyrazole-4-carboxylate;ethyl 5-chloro-7-(2-hydroxyethylamino)-6-methoxypyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-chloro-6-hydroxy-7-(2-hydroxyethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate;methyl 2-methoxy-3-oxobutanoate (CID 159486100) is 3-acetyl-7-hydroxy-6-methoxy-4H-pyrazolo[1,5-a]pyrimidin-5-one;2-aminoethanol;8-chloro-13-[(4-methoxyphenyl)methyl]-10-oxa-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-5-carboxylic acid;1-(5,7-dichloro-6-methylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone;ethyl 5-amino-1H-pyrazole-4-carboxylate;ethyl 5-chloro-7-(2-hydroxyethylamino)-6-methoxypyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-chloro-6-hydroxy-7-(2-hydroxyethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate;methyl 2-methoxy-3-oxobutanoate.

What is the SMILES notation for 3-acetyl-7-hydroxy-6-methoxy-4H-pyrazolo[1,5-a]pyrimidin-5-one;2-aminoethanol;8-chloro-13-[(4-methoxyphenyl)methyl]-10-oxa-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-5-carboxylic acid;1-(5,7-dichloro-6-methylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone;ethyl 5-amino-1H-pyrazole-4-carboxylate;ethyl 5-chloro-7-(2-hydroxyethylamino)-6-methoxypyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-chloro-6-hydroxy-7-(2-hydroxyethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate;methyl 2-methoxy-3-oxobutanoate?

The canonical SMILES for 3-acetyl-7-hydroxy-6-methoxy-4H-pyrazolo[1,5-a]pyrimidin-5-one;2-aminoethanol;8-chloro-13-[(4-methoxyphenyl)methyl]-10-oxa-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-5-carboxylic acid;1-(5,7-dichloro-6-methylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone;ethyl 5-amino-1H-pyrazole-4-carboxylate;ethyl 5-chloro-7-(2-hydroxyethylamino)-6-methoxypyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-chloro-6-hydroxy-7-(2-hydroxyethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate;methyl 2-methoxy-3-oxobutanoate is CC(=O)c1cnn2c(Cl)c(C)c(Cl)nc12.CCOC(=O)c1cn[nH]c1N.CCOC(=O)c1cnn2c(NCCO)c(O)c(Cl)nc12.CCOC(=O)c1cnn2c(NCCO)c(OC)c(Cl)nc12.COC(=O)C(OC)C(C)=O.COc1c(O)n2ncc(C(C)=O)c2[nH]c1=O.COc1ccc(CN2CCOc3c(Cl)nc4c(C(=O)O)cnn4c32)cc1.NCCO.

What is the InChIKey of 3-acetyl-7-hydroxy-6-methoxy-4H-pyrazolo[1,5-a]pyrimidin-5-one;2-aminoethanol;8-chloro-13-[(4-methoxyphenyl)methyl]-10-oxa-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-5-carboxylic acid;1-(5,7-dichloro-6-methylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone;ethyl 5-amino-1H-pyrazole-4-carboxylate;ethyl 5-chloro-7-(2-hydroxyethylamino)-6-methoxypyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-chloro-6-hydroxy-7-(2-hydroxyethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate;methyl 2-methoxy-3-oxobutanoate?

The InChIKey is LXPIGILLAHCTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O4.C12H15ClN4O4.C11H13ClN4O4.C9H7Cl2N3O.C9H9N3O4.C6H9N3O2.C6H10O4.C2H7NO/c1-25-11-4-2-10(3-5-11)9-21-6-7-26-13-14(18)20-15-12(17(23)24)8-19-22(15)16(13)21;1-3-21-12(19)7-6-15-17-10(7)16-9(13)8(20-2)11(17)14-4-5-18;1-2-20-11(19)6-5-14-16-9(6)15-8(12)7(18)10(16)13-3-4-17;1-4-7(10)13-9-6(5(2)15)3-12-14(9)8(4)11;1-4(13)5-3-10-12-7(5)11-8(14)6(16-2)9(12)15;1-2-11-6(10)4-3-8-9-5(4)7;1-4(7)5(9-2)6(8)10-3;3-1-2-4/h2-5,8H,6-7,9H2,1H3,(H,23,24);6,14,18H,3-5H2,1-2H3;5,13,17-18H,2-4H2,1H3;3H,1-2H3;3,15H,1-2H3,(H,11,14);3H,2H2,1H3,(H3,7,8,9);5H,1-3H3;4H,1-3H2.

What are the key properties of 3-acetyl-7-hydroxy-6-methoxy-4H-pyrazolo[1,5-a]pyrimidin-5-one;2-aminoethanol;8-chloro-13-[(4-methoxyphenyl)methyl]-10-oxa-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-5-carboxylic acid;1-(5,7-dichloro-6-methylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone;ethyl 5-amino-1H-pyrazole-4-carboxylate;ethyl 5-chloro-7-(2-hydroxyethylamino)-6-methoxypyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-chloro-6-hydroxy-7-(2-hydroxyethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate;methyl 2-methoxy-3-oxobutanoate?

3-acetyl-7-hydroxy-6-methoxy-4H-pyrazolo[1,5-a]pyrimidin-5-one;2-aminoethanol;8-chloro-13-[(4-methoxyphenyl)methyl]-10-oxa-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-5-carboxylic acid;1-(5,7-dichloro-6-methylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone;ethyl 5-amino-1H-pyrazole-4-carboxylate;ethyl 5-chloro-7-(2-hydroxyethylamino)-6-methoxypyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-chloro-6-hydroxy-7-(2-hydroxyethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate;methyl 2-methoxy-3-oxobutanoate has a molecular weight of 1819.87 g/mol, XLogP of 5.49, 24 rotatable bonds, 12 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 3-acetyl-7-hydroxy-6-methoxy-4H-pyrazolo[1,5-a]pyrimidin-5-one;2-aminoethanol;8-chloro-13-[(4-methoxyphenyl)methyl]-10-oxa-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-5-carboxylic acid;1-(5,7-dichloro-6-methylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone;ethyl 5-amino-1H-pyrazole-4-carboxylate;ethyl 5-chloro-7-(2-hydroxyethylamino)-6-methoxypyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-chloro-6-hydroxy-7-(2-hydroxyethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate;methyl 2-methoxy-3-oxobutanoate is sourced from PubChem (CID 159486100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).