2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-methyl-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone;2-[3-(4-fluoro-3-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-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperidin-1-yl)ethanone

C110H113F4N19O6S — CID 158559982

About 2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-methyl-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone;2-[3-(4-fluoro-3-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-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperidin-1-yl)ethanone

2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-methyl-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone;2-[3-(4-fluoro-3-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-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperidin-1-yl)ethanone (PubChem CID 158559982) has the molecular formula C110H113F4N19O6S and a molecular weight of 1905.30 g/mol. Its IUPAC name is 2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-methyl-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone;2-[3-(4-fluoro-3-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-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperidin-1-yl)ethanone.

Molecular Properties

• Compound Name: 2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-methyl-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone;2-[3-(4-fluoro-3-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-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperidin-1-yl)ethanone
• PubChem CID: 158559982
• Molecular Formula: C110H113F4N19O6S
• Molecular Weight: 1905.30 g/mol
• Exact Mass: 1903.88
• IUPAC Name: 2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-methyl-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone;2-[3-(4-fluoro-3-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-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperidin-1-yl)ethanone
• SMILES: Cc1cc(-c2cc(-c3ccccc3)n(CC(=O)N3CCC(C)(c4nnc(C(C)C)o4)CC3)n2)ccc1F.Cc1cc(-c2cc(-c3ccccc3)n(CC(=O)N3CCC(c4ncccn4)CC3)n2)ccc1F.Cc1cc(-c2cc(-c3ccccc3)n(CC(=O)N3CCC(c4nnc(C(C)C)o4)CC3)n2)ccc1F.Cc1nc2c(s1)CCN(C(=O)Cn1nc(-c3ccc(F)c(C)c3)cc1-c1ccccc1)CC2
• InChI: InChI=1S/C29H32FN5O2.C28H30FN5O2.C27H26FN5O.C26H25FN4OS/c1-19(2)27-31-32-28(37-27)29(4)12-14-34(15-13-29)26(36)18-35-25(21-8-6-5-7-9-21)17-24(33-35)22-10-11-23(30)20(3)16-22;1-18(2)27-30-31-28(36-27)21-11-13-33(14-12-21)26(35)17-34-25(20-7-5-4-6-8-20)16-24(32-34)22-9-10-23(29)19(3)15-22;1-19-16-22(8-9-23(19)28)24-17-25(20-6-3-2-4-7-20)33(31-24)18-26(34)32-14-10-21(11-15-32)27-29-12-5-13-30-27;1-17-14-20(8-9-21(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/h5-11,16-17,19H,12-15,18H2,1-4H3;4-10,15-16,18,21H,11-14,17H2,1-3H3;2-9,12-13,16-17,21H,10-11,14-15,18H2,1H3;3-9,14-15H,10-13,16H2,1-2H3
• InChIKey: HQTKUBOHEGMJBP-UHFFFAOYSA-N
• XLogP: 21.25
• TPSA: 269.03 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 21
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1905.30
LogP ≤ 5	21.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-methyl-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone;2-[3-(4-fluoro-3-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-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperidin-1-yl)ethanone?

The IUPAC name of 2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-methyl-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone;2-[3-(4-fluoro-3-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-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperidin-1-yl)ethanone (CID 158559982) is 2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-methyl-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone;2-[3-(4-fluoro-3-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-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperidin-1-yl)ethanone.

What is the SMILES notation for 2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-methyl-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone;2-[3-(4-fluoro-3-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-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperidin-1-yl)ethanone?

The canonical SMILES for 2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-methyl-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone;2-[3-(4-fluoro-3-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-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperidin-1-yl)ethanone is Cc1cc(-c2cc(-c3ccccc3)n(CC(=O)N3CCC(C)(c4nnc(C(C)C)o4)CC3)n2)ccc1F.Cc1cc(-c2cc(-c3ccccc3)n(CC(=O)N3CCC(c4ncccn4)CC3)n2)ccc1F.Cc1cc(-c2cc(-c3ccccc3)n(CC(=O)N3CCC(c4nnc(C(C)C)o4)CC3)n2)ccc1F.Cc1nc2c(s1)CCN(C(=O)Cn1nc(-c3ccc(F)c(C)c3)cc1-c1ccccc1)CC2.

What is the InChIKey of 2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-methyl-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone;2-[3-(4-fluoro-3-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-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperidin-1-yl)ethanone?

The InChIKey is HQTKUBOHEGMJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32FN5O2.C28H30FN5O2.C27H26FN5O.C26H25FN4OS/c1-19(2)27-31-32-28(37-27)29(4)12-14-34(15-13-29)26(36)18-35-25(21-8-6-5-7-9-21)17-24(33-35)22-10-11-23(30)20(3)16-22;1-18(2)27-30-31-28(36-27)21-11-13-33(14-12-21)26(35)17-34-25(20-7-5-4-6-8-20)16-24(32-34)22-9-10-23(29)19(3)15-22;1-19-16-22(8-9-23(19)28)24-17-25(20-6-3-2-4-7-20)33(31-24)18-26(34)32-14-10-21(11-15-32)27-29-12-5-13-30-27;1-17-14-20(8-9-21(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/h5-11,16-17,19H,12-15,18H2,1-4H3;4-10,15-16,18,21H,11-14,17H2,1-3H3;2-9,12-13,16-17,21H,10-11,14-15,18H2,1H3;3-9,14-15H,10-13,16H2,1-2H3.

What are the key properties of 2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-methyl-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone;2-[3-(4-fluoro-3-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-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperidin-1-yl)ethanone?

2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-methyl-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone;2-[3-(4-fluoro-3-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-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperidin-1-yl)ethanone has a molecular weight of 1905.30 g/mol, XLogP of 21.25, 21 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-methyl-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone;2-[3-(4-fluoro-3-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-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 158559982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).