2-[3-(3-fluoro-4-methylphenyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-(3-fluoro-4-methylphenyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone;2-[3-(3-fluoro-4-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone;2-[3-(3-fluoro-4-methylphenyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanone

C99H92F4N18O6S2 — CID 159145101

About 2-[3-(3-fluoro-4-methylphenyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-(3-fluoro-4-methylphenyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone;2-[3-(3-fluoro-4-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone;2-[3-(3-fluoro-4-methylphenyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanone

2-[3-(3-fluoro-4-methylphenyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-(3-fluoro-4-methylphenyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone;2-[3-(3-fluoro-4-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone;2-[3-(3-fluoro-4-methylphenyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanone (PubChem CID 159145101) has the molecular formula C99H92F4N18O6S2 and a molecular weight of 1770.07 g/mol. Its IUPAC name is 2-[3-(3-fluoro-4-methylphenyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-(3-fluoro-4-methylphenyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone;2-[3-(3-fluoro-4-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone;2-[3-(3-fluoro-4-methylphenyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanone.

Molecular Properties

• Compound Name: 2-[3-(3-fluoro-4-methylphenyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-(3-fluoro-4-methylphenyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone;2-[3-(3-fluoro-4-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone;2-[3-(3-fluoro-4-methylphenyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanone
• PubChem CID: 159145101
• Molecular Formula: C99H92F4N18O6S2
• Molecular Weight: 1770.07 g/mol
• Exact Mass: 1768.68
• IUPAC Name: 2-[3-(3-fluoro-4-methylphenyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-(3-fluoro-4-methylphenyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone;2-[3-(3-fluoro-4-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone;2-[3-(3-fluoro-4-methylphenyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanone
• SMILES: Cc1nc2c(o1)CN(C(=O)Cn1nc(-c3ccc(C)c(F)c3)cc1-c1ccccc1)C2.Cc1nc2c(s1)CCN(C(=O)Cn1nc(-c3ccc(C)c(F)c3)cc1-c1ccccc1)CC2.Cc1nc2c(s1)CN(C(=O)Cn1nc(-c3ccc(C)c(F)c3)cc1-c1ccccc1)C2.Cc1nnc(N2CCN(C(=O)Cn3nc(-c4ccc(C)c(F)c4)cc3-c3ccccc3)CC2)o1
• InChI: InChI=1S/C26H25FN4OS.C25H25FN6O2.C24H21FN4O2.C24H21FN4OS/c1-17-8-9-20(14-21(17)27)23-15-24(19-6-4-3-5-7-19)31(29-23)16-26(32)30-12-10-22-25(11-13-30)33-18(2)28-22;1-17-8-9-20(14-21(17)26)22-15-23(19-6-4-3-5-7-19)32(29-22)16-24(33)30-10-12-31(13-11-30)25-28-27-18(2)34-25;2*1-15-8-9-18(10-19(15)25)20-11-22(17-6-4-3-5-7-17)29(27-20)14-24(30)28-12-21-23(13-28)31-16(2)26-21/h3-9,14-15H,10-13,16H2,1-2H3;3-9,14-15H,10-13,16H2,1-2H3;2*3-11H,12-14H2,1-2H3
• InChIKey: KIOSUWLLEZNCKP-UHFFFAOYSA-N
• XLogP: 18.24
• TPSA: 246.49 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 17
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1770.07
LogP ≤ 5	18.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

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

The IUPAC name of 2-[3-(3-fluoro-4-methylphenyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-(3-fluoro-4-methylphenyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone;2-[3-(3-fluoro-4-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone;2-[3-(3-fluoro-4-methylphenyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanone (CID 159145101) is 2-[3-(3-fluoro-4-methylphenyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-(3-fluoro-4-methylphenyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone;2-[3-(3-fluoro-4-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone;2-[3-(3-fluoro-4-methylphenyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanone.

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

The canonical SMILES for 2-[3-(3-fluoro-4-methylphenyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-(3-fluoro-4-methylphenyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone;2-[3-(3-fluoro-4-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone;2-[3-(3-fluoro-4-methylphenyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanone is Cc1nc2c(o1)CN(C(=O)Cn1nc(-c3ccc(C)c(F)c3)cc1-c1ccccc1)C2.Cc1nc2c(s1)CCN(C(=O)Cn1nc(-c3ccc(C)c(F)c3)cc1-c1ccccc1)CC2.Cc1nc2c(s1)CN(C(=O)Cn1nc(-c3ccc(C)c(F)c3)cc1-c1ccccc1)C2.Cc1nnc(N2CCN(C(=O)Cn3nc(-c4ccc(C)c(F)c4)cc3-c3ccccc3)CC2)o1.

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

The InChIKey is KIOSUWLLEZNCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4OS.C25H25FN6O2.C24H21FN4O2.C24H21FN4OS/c1-17-8-9-20(14-21(17)27)23-15-24(19-6-4-3-5-7-19)31(29-23)16-26(32)30-12-10-22-25(11-13-30)33-18(2)28-22;1-17-8-9-20(14-21(17)26)22-15-23(19-6-4-3-5-7-19)32(29-22)16-24(33)30-10-12-31(13-11-30)25-28-27-18(2)34-25;2*1-15-8-9-18(10-19(15)25)20-11-22(17-6-4-3-5-7-17)29(27-20)14-24(30)28-12-21-23(13-28)31-16(2)26-21/h3-9,14-15H,10-13,16H2,1-2H3;3-9,14-15H,10-13,16H2,1-2H3;2*3-11H,12-14H2,1-2H3.

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

2-[3-(3-fluoro-4-methylphenyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-(3-fluoro-4-methylphenyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone;2-[3-(3-fluoro-4-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone;2-[3-(3-fluoro-4-methylphenyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanone has a molecular weight of 1770.07 g/mol, XLogP of 18.24, 17 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(3-fluoro-4-methylphenyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-(3-fluoro-4-methylphenyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone;2-[3-(3-fluoro-4-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone;2-[3-(3-fluoro-4-methylphenyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanone is sourced from PubChem (CID 159145101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).