1-[4-(4-tert-butyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;2-hydroxy-1-[1-methyl-4-(3-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-5-yl]ethanone;1-methyl-4-(5-methylpyrazin-2-yl)pyrazole-5-carboxylic acid;1-methyl-4-(3-methyl-2-pyridinyl)pyrazole-5-carboxylic acid

C71H84BFN18O12S — CID 159094933

About 1-[4-(4-tert-butyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;2-hydroxy-1-[1-methyl-4-(3-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-5-yl]ethanone;1-methyl-4-(5-methylpyrazin-2-yl)pyrazole-5-carboxylic acid;1-methyl-4-(3-methyl-2-pyridinyl)pyrazole-5-carboxylic acid

1-[4-(4-tert-butyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;2-hydroxy-1-[1-methyl-4-(3-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-5-yl]ethanone;1-methyl-4-(5-methylpyrazin-2-yl)pyrazole-5-carboxylic acid;1-methyl-4-(3-methyl-2-pyridinyl)pyrazole-5-carboxylic acid (PubChem CID 159094933) has the molecular formula C71H84BFN18O12S and a molecular weight of 1443.44 g/mol. Its IUPAC name is 1-[4-(4-tert-butyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;2-hydroxy-1-[1-methyl-4-(3-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-5-yl]ethanone;1-methyl-4-(5-methylpyrazin-2-yl)pyrazole-5-carboxylic acid;1-methyl-4-(3-methyl-2-pyridinyl)pyrazole-5-carboxylic acid.

Molecular Properties

• Compound Name: 1-[4-(4-tert-butyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;2-hydroxy-1-[1-methyl-4-(3-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-5-yl]ethanone;1-methyl-4-(5-methylpyrazin-2-yl)pyrazole-5-carboxylic acid;1-methyl-4-(3-methyl-2-pyridinyl)pyrazole-5-carboxylic acid
• PubChem CID: 159094933
• Molecular Formula: C71H84BFN18O12S
• Molecular Weight: 1443.44 g/mol
• Exact Mass: 1442.63
• IUPAC Name: 1-[4-(4-tert-butyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;2-hydroxy-1-[1-methyl-4-(3-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-5-yl]ethanone;1-methyl-4-(5-methylpyrazin-2-yl)pyrazole-5-carboxylic acid;1-methyl-4-(3-methyl-2-pyridinyl)pyrazole-5-carboxylic acid
• SMILES: Cc1cccnc1-c1cnn(C)c1C(=O)CO.Cc1cccnc1-c1cnn(C)c1C(=O)O.Cc1cnc(-c2cnn(C)c2C(=O)O)cn1.Cn1ncc(-c2nc(C(C)(C)C)cs2)c1C(=O)CO.Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)CO.NC1CCn2cc(-c3ccc(F)cc3)nc2C1
• InChI: InChI=1S/C13H14FN3.C13H17N3O2S.C12H19BN2O4.C12H13N3O2.C11H11N3O2.C10H10N4O2/c14-10-3-1-9(2-4-10)12-8-17-6-5-11(15)7-13(17)16-12;1-13(2,3)10-7-19-12(15-10)8-5-14-16(4)11(8)9(18)6-17;1-11(2)12(3,4)19-13(18-11)8-6-14-15(5)10(8)9(17)7-16;1-8-4-3-5-13-11(8)9-6-14-15(2)12(9)10(17)7-16;1-7-4-3-5-12-9(7)8-6-13-14(2)10(8)11(15)16;1-6-3-12-8(5-11-6)7-4-13-14(2)9(7)10(15)16/h1-4,8,11H,5-7,15H2;5,7,17H,6H2,1-4H3;6,16H,7H2,1-5H3;3-6,16H,7H2,1-2H3;3-6H,1-2H3,(H,15,16);3-5H,1-2H3,(H,15,16)
• InChIKey: KCNWDKFHNQQXBF-UHFFFAOYSA-N
• XLogP: 7.21
• TPSA: 402.35 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 29
• Rotatable Bonds: 14
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1443.44
LogP ≤ 5	7.21
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-tert-butyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;2-hydroxy-1-[1-methyl-4-(3-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-5-yl]ethanone;1-methyl-4-(5-methylpyrazin-2-yl)pyrazole-5-carboxylic acid;1-methyl-4-(3-methyl-2-pyridinyl)pyrazole-5-carboxylic acid?

The IUPAC name of 1-[4-(4-tert-butyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;2-hydroxy-1-[1-methyl-4-(3-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-5-yl]ethanone;1-methyl-4-(5-methylpyrazin-2-yl)pyrazole-5-carboxylic acid;1-methyl-4-(3-methyl-2-pyridinyl)pyrazole-5-carboxylic acid (CID 159094933) is 1-[4-(4-tert-butyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;2-hydroxy-1-[1-methyl-4-(3-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-5-yl]ethanone;1-methyl-4-(5-methylpyrazin-2-yl)pyrazole-5-carboxylic acid;1-methyl-4-(3-methyl-2-pyridinyl)pyrazole-5-carboxylic acid.

What is the SMILES notation for 1-[4-(4-tert-butyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;2-hydroxy-1-[1-methyl-4-(3-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-5-yl]ethanone;1-methyl-4-(5-methylpyrazin-2-yl)pyrazole-5-carboxylic acid;1-methyl-4-(3-methyl-2-pyridinyl)pyrazole-5-carboxylic acid?

The canonical SMILES for 1-[4-(4-tert-butyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;2-hydroxy-1-[1-methyl-4-(3-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-5-yl]ethanone;1-methyl-4-(5-methylpyrazin-2-yl)pyrazole-5-carboxylic acid;1-methyl-4-(3-methyl-2-pyridinyl)pyrazole-5-carboxylic acid is Cc1cccnc1-c1cnn(C)c1C(=O)CO.Cc1cccnc1-c1cnn(C)c1C(=O)O.Cc1cnc(-c2cnn(C)c2C(=O)O)cn1.Cn1ncc(-c2nc(C(C)(C)C)cs2)c1C(=O)CO.Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)CO.NC1CCn2cc(-c3ccc(F)cc3)nc2C1.

What is the InChIKey of 1-[4-(4-tert-butyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;2-hydroxy-1-[1-methyl-4-(3-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-5-yl]ethanone;1-methyl-4-(5-methylpyrazin-2-yl)pyrazole-5-carboxylic acid;1-methyl-4-(3-methyl-2-pyridinyl)pyrazole-5-carboxylic acid?

The InChIKey is KCNWDKFHNQQXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3.C13H17N3O2S.C12H19BN2O4.C12H13N3O2.C11H11N3O2.C10H10N4O2/c14-10-3-1-9(2-4-10)12-8-17-6-5-11(15)7-13(17)16-12;1-13(2,3)10-7-19-12(15-10)8-5-14-16(4)11(8)9(18)6-17;1-11(2)12(3,4)19-13(18-11)8-6-14-15(5)10(8)9(17)7-16;1-8-4-3-5-13-11(8)9-6-14-15(2)12(9)10(17)7-16;1-7-4-3-5-12-9(7)8-6-13-14(2)10(8)11(15)16;1-6-3-12-8(5-11-6)7-4-13-14(2)9(7)10(15)16/h1-4,8,11H,5-7,15H2;5,7,17H,6H2,1-4H3;6,16H,7H2,1-5H3;3-6,16H,7H2,1-2H3;3-6H,1-2H3,(H,15,16);3-5H,1-2H3,(H,15,16).

What are the key properties of 1-[4-(4-tert-butyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;2-hydroxy-1-[1-methyl-4-(3-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-5-yl]ethanone;1-methyl-4-(5-methylpyrazin-2-yl)pyrazole-5-carboxylic acid;1-methyl-4-(3-methyl-2-pyridinyl)pyrazole-5-carboxylic acid?

1-[4-(4-tert-butyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;2-hydroxy-1-[1-methyl-4-(3-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-5-yl]ethanone;1-methyl-4-(5-methylpyrazin-2-yl)pyrazole-5-carboxylic acid;1-methyl-4-(3-methyl-2-pyridinyl)pyrazole-5-carboxylic acid has a molecular weight of 1443.44 g/mol, XLogP of 7.21, 14 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(4-tert-butyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;2-hydroxy-1-[1-methyl-4-(3-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-5-yl]ethanone;1-methyl-4-(5-methylpyrazin-2-yl)pyrazole-5-carboxylic acid;1-methyl-4-(3-methyl-2-pyridinyl)pyrazole-5-carboxylic acid is sourced from PubChem (CID 159094933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).