2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-methylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone

C92H104F4N20O8 — CID 160692379

IUPAC2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-methylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone
SMILESCCCc1cc(-c2ccc(F)c(C)c2)nn1CC(=O)N1CCN(c2nc(C)co2)CC1.CCc1cc(-c2ccc(F)c(C)c2)nn1CC(=O)N1CCN(c2nc(C)co2)CC1.Cc1coc(N2CCN(C(=O)Cn3nc(-c4ccc(F)c(C)c4)cc3-c3ccccc3)CC2)n1.Cc1coc(N2CCN(C(=O)Cn3nc(-c4ccc(F)c(C)c4)cc3C)CC2)n1
InChIInChI=1S/C26H26FN5O2.C23H28FN5O2.C22H26FN5O2.C21H24FN5O2/c1-18-14-21(8-9-22(18)27)23-15-24(20-6-4-3-5-7-20)32(29-23)16-25(33)30-10-12-31(13-11-30)26-28-19(2)17-34-26;1-4-5-19-13-21(18-6-7-20(24)16(2)12-18)26-29(19)14-22(30)27-8-10-28(11-9-27)23-25-17(3)15-31-23;1-4-18-12-20(17-5-6-19(23)15(2)11-17)25-28(18)13-21(29)26-7-9-27(10-8-26)22-24-16(3)14-30-22;1-14-10-17(4-5-18(14)22)19-11-16(3)27(24-19)12-20(28)25-6-8-26(9-7-25)21-23-15(2)13-29-21/h3-9,14-15,17H,10-13,16H2,1-2H3;6-7,12-13,15H,4-5,8-11,14H2,1-3H3;5-6,11-12,14H,4,7-10,13H2,1-3H3;4-5,10-11,13H,6-9,12H2,1-3H3
InChIKeyRPOMQKLCQWGHSC-UHFFFAOYSA-N
MW1693.97 g/mol
LogP14.06
Rot. Bonds20

About 2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-methylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone

2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-methylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone (PubChem CID 160692379) has the molecular formula C92H104F4N20O8 and a molecular weight of 1693.97 g/mol. Its IUPAC name is 2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-methylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-methylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone
PubChem CID160692379
Molecular FormulaC92H104F4N20O8
Molecular Weight1693.97 g/mol
Exact Mass1692.83
IUPAC Name2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-methylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone
SMILESCCCc1cc(-c2ccc(F)c(C)c2)nn1CC(=O)N1CCN(c2nc(C)co2)CC1.CCc1cc(-c2ccc(F)c(C)c2)nn1CC(=O)N1CCN(c2nc(C)co2)CC1.Cc1coc(N2CCN(C(=O)Cn3nc(-c4ccc(F)c(C)c4)cc3-c3ccccc3)CC2)n1.Cc1coc(N2CCN(C(=O)Cn3nc(-c4ccc(F)c(C)c4)cc3C)CC2)n1
InChIInChI=1S/C26H26FN5O2.C23H28FN5O2.C22H26FN5O2.C21H24FN5O2/c1-18-14-21(8-9-22(18)27)23-15-24(20-6-4-3-5-7-20)32(29-23)16-25(33)30-10-12-31(13-11-30)26-28-19(2)17-34-26;1-4-5-19-13-21(18-6-7-20(24)16(2)12-18)26-29(19)14-22(30)27-8-10-28(11-9-27)23-25-17(3)15-31-23;1-4-18-12-20(17-5-6-19(23)15(2)11-17)25-28(18)13-21(29)26-7-9-27(10-8-26)22-24-16(3)14-30-22;1-14-10-17(4-5-18(14)22)19-11-16(3)27(24-19)12-20(28)25-6-8-26(9-7-25)21-23-15(2)13-29-21/h3-9,14-15,17H,10-13,16H2,1-2H3;6-7,12-13,15H,4-5,8-11,14H2,1-3H3;5-6,11-12,14H,4,7-10,13H2,1-3H3;4-5,10-11,13H,6-9,12H2,1-3H3
InChIKeyRPOMQKLCQWGHSC-UHFFFAOYSA-N
XLogP14.06
TPSA269.60 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds20
Heavy Atoms124
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001693.97
LogP ≤ 514.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-methylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-methylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-methylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone (CID 160692379) is 2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-methylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-methylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-methylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone is CCCc1cc(-c2ccc(F)c(C)c2)nn1CC(=O)N1CCN(c2nc(C)co2)CC1.CCc1cc(-c2ccc(F)c(C)c2)nn1CC(=O)N1CCN(c2nc(C)co2)CC1.Cc1coc(N2CCN(C(=O)Cn3nc(-c4ccc(F)c(C)c4)cc3-c3ccccc3)CC2)n1.Cc1coc(N2CCN(C(=O)Cn3nc(-c4ccc(F)c(C)c4)cc3C)CC2)n1.
What is the InChIKey of 2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-methylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone?
The InChIKey is RPOMQKLCQWGHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN5O2.C23H28FN5O2.C22H26FN5O2.C21H24FN5O2/c1-18-14-21(8-9-22(18)27)23-15-24(20-6-4-3-5-7-20)32(29-23)16-25(33)30-10-12-31(13-11-30)26-28-19(2)17-34-26;1-4-5-19-13-21(18-6-7-20(24)16(2)12-18)26-29(19)14-22(30)27-8-10-28(11-9-27)23-25-17(3)15-31-23;1-4-18-12-20(17-5-6-19(23)15(2)11-17)25-28(18)13-21(29)26-7-9-27(10-8-26)22-24-16(3)14-30-22;1-14-10-17(4-5-18(14)22)19-11-16(3)27(24-19)12-20(28)25-6-8-26(9-7-25)21-23-15(2)13-29-21/h3-9,14-15,17H,10-13,16H2,1-2H3;6-7,12-13,15H,4-5,8-11,14H2,1-3H3;5-6,11-12,14H,4,7-10,13H2,1-3H3;4-5,10-11,13H,6-9,12H2,1-3H3.
What are the key properties of 2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-methylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone?
2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-methylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone has a molecular weight of 1693.97 g/mol, XLogP of 14.06, 20 rotatable bonds, 0 hydrogen bond donors, and 24 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-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-methylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propylpyrazol-1-yl]-1-[4-(4-methyl-1,3-oxazol-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 160692379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).