2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone;1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propylpyrazol-1-yl]-1-(2-methyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-6-yl)ethanone

C96H103F4N19O6S2 — CID 161221610

About 2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone;1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propylpyrazol-1-yl]-1-(2-methyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-6-yl)ethanone

2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone;1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propylpyrazol-1-yl]-1-(2-methyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-6-yl)ethanone (PubChem CID 161221610) has the molecular formula C96H103F4N19O6S2 and a molecular weight of 1759.13 g/mol. Its IUPAC name is 2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone;1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propylpyrazol-1-yl]-1-(2-methyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-6-yl)ethanone.

Molecular Properties

• Compound Name: 2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone;1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propylpyrazol-1-yl]-1-(2-methyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-6-yl)ethanone
• PubChem CID: 161221610
• Molecular Formula: C96H103F4N19O6S2
• Molecular Weight: 1759.13 g/mol
• Exact Mass: 1757.77
• IUPAC Name: 2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone;1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propylpyrazol-1-yl]-1-(2-methyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-6-yl)ethanone
• SMILES: CCCc1cc(-c2ccc(F)c(C)c2)nn1CC(=O)N1CCc2nc(C)oc2CC1.CCc1cc(-c2ccc(F)c(C)c2)nn1CC(=O)N1CCN(c2nccs2)CC1.CCc1nnc(C2CCN(C(=O)Cn3nc(-c4ccc(F)c(C)c4)cc3-c3ccccc3)CC2)o1.Cc1cc(-c2cc(-c3ccccc3)n(CC(=O)N3CCN(c4nccs4)CC3)n2)ccc1F
• InChI: InChI=1S/C27H28FN5O2.C25H24FN5OS.C23H27FN4O2.C21H24FN5OS/c1-3-25-29-30-27(35-25)20-11-13-32(14-12-20)26(34)17-33-24(19-7-5-4-6-8-19)16-23(31-33)21-9-10-22(28)18(2)15-21;1-18-15-20(7-8-21(18)26)22-16-23(19-5-3-2-4-6-19)31(28-22)17-24(32)29-10-12-30(13-11-29)25-27-9-14-33-25;1-4-5-18-13-21(17-6-7-19(24)15(2)12-17)26-28(18)14-23(29)27-10-8-20-22(9-11-27)30-16(3)25-20;1-3-17-13-19(16-4-5-18(22)15(2)12-16)24-27(17)14-20(28)25-7-9-26(10-8-25)21-23-6-11-29-21/h4-10,15-16,20H,3,11-14,17H2,1-2H3;2-9,14-16H,10-13,17H2,1H3;6-7,12-13H,4-5,8-11,14H2,1-3H3;4-6,11-13H,3,7-10,14H2,1-2H3
• InChIKey: UXOWRIOETKUCCR-UHFFFAOYSA-N
• XLogP: 16.73
• TPSA: 249.73 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 21
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1759.13
LogP ≤ 5	16.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone;1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propylpyrazol-1-yl]-1-(2-methyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-6-yl)ethanone?

The IUPAC name of 2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone;1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propylpyrazol-1-yl]-1-(2-methyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-6-yl)ethanone (CID 161221610) is 2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone;1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propylpyrazol-1-yl]-1-(2-methyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-6-yl)ethanone.

What is the SMILES notation for 2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone;1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propylpyrazol-1-yl]-1-(2-methyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-6-yl)ethanone?

The canonical SMILES for 2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone;1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propylpyrazol-1-yl]-1-(2-methyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-6-yl)ethanone is CCCc1cc(-c2ccc(F)c(C)c2)nn1CC(=O)N1CCc2nc(C)oc2CC1.CCc1cc(-c2ccc(F)c(C)c2)nn1CC(=O)N1CCN(c2nccs2)CC1.CCc1nnc(C2CCN(C(=O)Cn3nc(-c4ccc(F)c(C)c4)cc3-c3ccccc3)CC2)o1.Cc1cc(-c2cc(-c3ccccc3)n(CC(=O)N3CCN(c4nccs4)CC3)n2)ccc1F.

What is the InChIKey of 2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone;1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propylpyrazol-1-yl]-1-(2-methyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-6-yl)ethanone?

The InChIKey is UXOWRIOETKUCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN5O2.C25H24FN5OS.C23H27FN4O2.C21H24FN5OS/c1-3-25-29-30-27(35-25)20-11-13-32(14-12-20)26(34)17-33-24(19-7-5-4-6-8-19)16-23(31-33)21-9-10-22(28)18(2)15-21;1-18-15-20(7-8-21(18)26)22-16-23(19-5-3-2-4-6-19)31(28-22)17-24(32)29-10-12-30(13-11-29)25-27-9-14-33-25;1-4-5-18-13-21(17-6-7-19(24)15(2)12-17)26-28(18)14-23(29)27-10-8-20-22(9-11-27)30-16(3)25-20;1-3-17-13-19(16-4-5-18(22)15(2)12-16)24-27(17)14-20(28)25-7-9-26(10-8-25)21-23-6-11-29-21/h4-10,15-16,20H,3,11-14,17H2,1-2H3;2-9,14-16H,10-13,17H2,1H3;6-7,12-13H,4-5,8-11,14H2,1-3H3;4-6,11-13H,3,7-10,14H2,1-2H3.

What are the key properties of 2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone;1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propylpyrazol-1-yl]-1-(2-methyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-6-yl)ethanone?

2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone;1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propylpyrazol-1-yl]-1-(2-methyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-6-yl)ethanone has a molecular weight of 1759.13 g/mol, XLogP of 16.73, 21 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone;1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propylpyrazol-1-yl]-1-(2-methyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-6-yl)ethanone is sourced from PubChem (CID 161221610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).