5-bromo-2-ethylpyrazolo[1,5-a]pyridine-3-carboxylic acid;tert-butyl N-(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)carbamate;ethyl 5-amino-2-ethylpyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 5-bromo-2-ethylpyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 2-ethyl-5-methylpyrazolo[1,5-a]pyridine-3-carboxylate;ethyl pent-2-ynoate;4-methylpyridine;4-methylpyridin-1-ium-1-amine

C80H97Br3N15O12+ — CID 159847219

About 5-bromo-2-ethylpyrazolo[1,5-a]pyridine-3-carboxylic acid;tert-butyl N-(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)carbamate;ethyl 5-amino-2-ethylpyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 5-bromo-2-ethylpyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 2-ethyl-5-methylpyrazolo[1,5-a]pyridine-3-carboxylate;ethyl pent-2-ynoate;4-methylpyridine;4-methylpyridin-1-ium-1-amine

5-bromo-2-ethylpyrazolo[1,5-a]pyridine-3-carboxylic acid;tert-butyl N-(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)carbamate;ethyl 5-amino-2-ethylpyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 5-bromo-2-ethylpyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 2-ethyl-5-methylpyrazolo[1,5-a]pyridine-3-carboxylate;ethyl pent-2-ynoate;4-methylpyridine;4-methylpyridin-1-ium-1-amine (PubChem CID 159847219) has the molecular formula C80H97Br3N15O12+ and a molecular weight of 1700.46 g/mol. Its IUPAC name is 5-bromo-2-ethylpyrazolo[1,5-a]pyridine-3-carboxylic acid;tert-butyl N-(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)carbamate;ethyl 5-amino-2-ethylpyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 5-bromo-2-ethylpyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 2-ethyl-5-methylpyrazolo[1,5-a]pyridine-3-carboxylate;ethyl pent-2-ynoate;4-methylpyridine;4-methylpyridin-1-ium-1-amine.

Molecular Properties

• Compound Name: 5-bromo-2-ethylpyrazolo[1,5-a]pyridine-3-carboxylic acid;tert-butyl N-(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)carbamate;ethyl 5-amino-2-ethylpyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 5-bromo-2-ethylpyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 2-ethyl-5-methylpyrazolo[1,5-a]pyridine-3-carboxylate;ethyl pent-2-ynoate;4-methylpyridine;4-methylpyridin-1-ium-1-amine
• PubChem CID: 159847219
• Molecular Formula: C80H97Br3N15O12+
• Molecular Weight: 1700.46 g/mol
• Exact Mass: 1696.50
• IUPAC Name: 5-bromo-2-ethylpyrazolo[1,5-a]pyridine-3-carboxylic acid;tert-butyl N-(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)carbamate;ethyl 5-amino-2-ethylpyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 5-bromo-2-ethylpyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 2-ethyl-5-methylpyrazolo[1,5-a]pyridine-3-carboxylate;ethyl pent-2-ynoate;4-methylpyridine;4-methylpyridin-1-ium-1-amine
• SMILES: CCC#CC(=O)OCC.CCOC(=O)c1c(CC)nn2ccc(Br)cc12.CCOC(=O)c1c(CC)nn2ccc(C)cc12.CCOC(=O)c1c(CC)nn2ccc(N)cc12.CCc1nn2ccc(Br)cc2c1C(=O)O.CCc1nn2ccc(Br)cc2c1NC(=O)OC(C)(C)C.Cc1cc[n+](N)cc1.Cc1ccncc1
• InChI: InChI=1S/C14H18BrN3O2.C13H16N2O2.C12H13BrN2O2.C12H15N3O2.C10H9BrN2O2.C7H10O2.C6H9N2.C6H7N/c1-5-10-12(16-13(19)20-14(2,3)4)11-8-9(15)6-7-18(11)17-10;1-4-10-12(13(16)17-5-2)11-8-9(3)6-7-15(11)14-10;2*1-3-9-11(12(16)17-4-2)10-7-8(13)5-6-15(10)14-9;1-2-7-9(10(14)15)8-5-6(11)3-4-13(8)12-7;1-3-5-6-7(8)9-4-2;1-6-2-4-8(7)5-3-6;1-6-2-4-7-5-3-6/h6-8H,5H2,1-4H3,(H,16,19);6-8H,4-5H2,1-3H3;5-7H,3-4H2,1-2H3;5-7H,3-4,13H2,1-2H3;3-5H,2H2,1H3,(H,14,15);3-4H2,1-2H3;2-5H,7H2,1H3;2-5H,1H3/q;;;;;;+1
• InChIKey: NPLQPCFILMIIBY-UHFFFAOYSA-N
• XLogP: 15.59
• TPSA: 336.14 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 14
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1700.46
LogP ≤ 5	15.59
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_5', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-ethylpyrazolo[1,5-a]pyridine-3-carboxylic acid;tert-butyl N-(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)carbamate;ethyl 5-amino-2-ethylpyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 5-bromo-2-ethylpyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 2-ethyl-5-methylpyrazolo[1,5-a]pyridine-3-carboxylate;ethyl pent-2-ynoate;4-methylpyridine;4-methylpyridin-1-ium-1-amine?

The IUPAC name of 5-bromo-2-ethylpyrazolo[1,5-a]pyridine-3-carboxylic acid;tert-butyl N-(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)carbamate;ethyl 5-amino-2-ethylpyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 5-bromo-2-ethylpyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 2-ethyl-5-methylpyrazolo[1,5-a]pyridine-3-carboxylate;ethyl pent-2-ynoate;4-methylpyridine;4-methylpyridin-1-ium-1-amine (CID 159847219) is 5-bromo-2-ethylpyrazolo[1,5-a]pyridine-3-carboxylic acid;tert-butyl N-(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)carbamate;ethyl 5-amino-2-ethylpyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 5-bromo-2-ethylpyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 2-ethyl-5-methylpyrazolo[1,5-a]pyridine-3-carboxylate;ethyl pent-2-ynoate;4-methylpyridine;4-methylpyridin-1-ium-1-amine.

What is the SMILES notation for 5-bromo-2-ethylpyrazolo[1,5-a]pyridine-3-carboxylic acid;tert-butyl N-(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)carbamate;ethyl 5-amino-2-ethylpyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 5-bromo-2-ethylpyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 2-ethyl-5-methylpyrazolo[1,5-a]pyridine-3-carboxylate;ethyl pent-2-ynoate;4-methylpyridine;4-methylpyridin-1-ium-1-amine?

The canonical SMILES for 5-bromo-2-ethylpyrazolo[1,5-a]pyridine-3-carboxylic acid;tert-butyl N-(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)carbamate;ethyl 5-amino-2-ethylpyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 5-bromo-2-ethylpyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 2-ethyl-5-methylpyrazolo[1,5-a]pyridine-3-carboxylate;ethyl pent-2-ynoate;4-methylpyridine;4-methylpyridin-1-ium-1-amine is CCC#CC(=O)OCC.CCOC(=O)c1c(CC)nn2ccc(Br)cc12.CCOC(=O)c1c(CC)nn2ccc(C)cc12.CCOC(=O)c1c(CC)nn2ccc(N)cc12.CCc1nn2ccc(Br)cc2c1C(=O)O.CCc1nn2ccc(Br)cc2c1NC(=O)OC(C)(C)C.Cc1cc[n+](N)cc1.Cc1ccncc1.

What is the InChIKey of 5-bromo-2-ethylpyrazolo[1,5-a]pyridine-3-carboxylic acid;tert-butyl N-(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)carbamate;ethyl 5-amino-2-ethylpyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 5-bromo-2-ethylpyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 2-ethyl-5-methylpyrazolo[1,5-a]pyridine-3-carboxylate;ethyl pent-2-ynoate;4-methylpyridine;4-methylpyridin-1-ium-1-amine?

The InChIKey is NPLQPCFILMIIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O2.C13H16N2O2.C12H13BrN2O2.C12H15N3O2.C10H9BrN2O2.C7H10O2.C6H9N2.C6H7N/c1-5-10-12(16-13(19)20-14(2,3)4)11-8-9(15)6-7-18(11)17-10;1-4-10-12(13(16)17-5-2)11-8-9(3)6-7-15(11)14-10;2*1-3-9-11(12(16)17-4-2)10-7-8(13)5-6-15(10)14-9;1-2-7-9(10(14)15)8-5-6(11)3-4-13(8)12-7;1-3-5-6-7(8)9-4-2;1-6-2-4-8(7)5-3-6;1-6-2-4-7-5-3-6/h6-8H,5H2,1-4H3,(H,16,19);6-8H,4-5H2,1-3H3;5-7H,3-4H2,1-2H3;5-7H,3-4,13H2,1-2H3;3-5H,2H2,1H3,(H,14,15);3-4H2,1-2H3;2-5H,7H2,1H3;2-5H,1H3/q;;;;;;+1;.

What are the key properties of 5-bromo-2-ethylpyrazolo[1,5-a]pyridine-3-carboxylic acid;tert-butyl N-(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)carbamate;ethyl 5-amino-2-ethylpyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 5-bromo-2-ethylpyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 2-ethyl-5-methylpyrazolo[1,5-a]pyridine-3-carboxylate;ethyl pent-2-ynoate;4-methylpyridine;4-methylpyridin-1-ium-1-amine?

5-bromo-2-ethylpyrazolo[1,5-a]pyridine-3-carboxylic acid;tert-butyl N-(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)carbamate;ethyl 5-amino-2-ethylpyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 5-bromo-2-ethylpyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 2-ethyl-5-methylpyrazolo[1,5-a]pyridine-3-carboxylate;ethyl pent-2-ynoate;4-methylpyridine;4-methylpyridin-1-ium-1-amine has a molecular weight of 1700.46 g/mol, XLogP of 15.59, 14 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-2-ethylpyrazolo[1,5-a]pyridine-3-carboxylic acid;tert-butyl N-(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)carbamate;ethyl 5-amino-2-ethylpyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 5-bromo-2-ethylpyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 2-ethyl-5-methylpyrazolo[1,5-a]pyridine-3-carboxylate;ethyl pent-2-ynoate;4-methylpyridine;4-methylpyridin-1-ium-1-amine is sourced from PubChem (CID 159847219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).