2-[5-(5,6-dimethyl-2-pyridinyl)-3-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[5-ethyl-3-(3-ethylphenyl)pyrazol-1-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(3-ethylphenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(3-ethylphenyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

C96H112FN25O5 — CID 159780818

IUPAC2-[5-(5,6-dimethyl-2-pyridinyl)-3-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[5-ethyl-3-(3-ethylphenyl)pyrazol-1-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(3-ethylphenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(3-ethylphenyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESCCc1cccc(-c2cc(CC)n(CC(=O)N3CCN(c4ncc(F)cn4)CC3)n2)c1.CCc1cccc(-c2cc(CC)n(CC(=O)N3CCN(c4ncc(OC)cn4)CC3)n2)c1.CCc1cccc(-c2cc(CC)n(CC(=O)N3CCN(c4ncccn4)CC3)n2)c1.Cc1ccc(-c2cc(-c3ccccc3)nn2CC(=O)N2CCN(c3ncccn3)CC2)nc1C
InChIInChI=1S/C26H27N7O.C24H30N6O2.C23H27FN6O.C23H28N6O/c1-19-9-10-22(29-20(19)2)24-17-23(21-7-4-3-5-8-21)30-33(24)18-25(34)31-13-15-32(16-14-31)26-27-11-6-12-28-26;1-4-18-7-6-8-19(13-18)22-14-20(5-2)30(27-22)17-23(31)28-9-11-29(12-10-28)24-25-15-21(32-3)16-26-24;1-3-17-6-5-7-18(12-17)21-13-20(4-2)30(27-21)16-22(31)28-8-10-29(11-9-28)23-25-14-19(24)15-26-23;1-3-18-7-5-8-19(15-18)21-16-20(4-2)29(26-21)17-22(30)27-11-13-28(14-12-27)23-24-9-6-10-25-23/h3-12,17H,13-16,18H2,1-2H3;6-8,13-16H,4-5,9-12,17H2,1-3H3;5-7,12-15H,3-4,8-11,16H2,1-2H3;5-10,15-16H,3-4,11-14,17H2,1-2H3
InChIKeyNHIKPJIQBWRLMR-UHFFFAOYSA-N
MW1715.12 g/mol
LogP11.96
Rot. Bonds24

About 2-[5-(5,6-dimethyl-2-pyridinyl)-3-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[5-ethyl-3-(3-ethylphenyl)pyrazol-1-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(3-ethylphenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(3-ethylphenyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

2-[5-(5,6-dimethyl-2-pyridinyl)-3-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[5-ethyl-3-(3-ethylphenyl)pyrazol-1-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(3-ethylphenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(3-ethylphenyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (PubChem CID 159780818) has the molecular formula C96H112FN25O5 and a molecular weight of 1715.12 g/mol. Its IUPAC name is 2-[5-(5,6-dimethyl-2-pyridinyl)-3-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[5-ethyl-3-(3-ethylphenyl)pyrazol-1-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(3-ethylphenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(3-ethylphenyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[5-(5,6-dimethyl-2-pyridinyl)-3-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[5-ethyl-3-(3-ethylphenyl)pyrazol-1-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(3-ethylphenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(3-ethylphenyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
PubChem CID159780818
Molecular FormulaC96H112FN25O5
Molecular Weight1715.12 g/mol
Exact Mass1713.93
IUPAC Name2-[5-(5,6-dimethyl-2-pyridinyl)-3-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[5-ethyl-3-(3-ethylphenyl)pyrazol-1-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(3-ethylphenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(3-ethylphenyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESCCc1cccc(-c2cc(CC)n(CC(=O)N3CCN(c4ncc(F)cn4)CC3)n2)c1.CCc1cccc(-c2cc(CC)n(CC(=O)N3CCN(c4ncc(OC)cn4)CC3)n2)c1.CCc1cccc(-c2cc(CC)n(CC(=O)N3CCN(c4ncccn4)CC3)n2)c1.Cc1ccc(-c2cc(-c3ccccc3)nn2CC(=O)N2CCN(c3ncccn3)CC2)nc1C
InChIInChI=1S/C26H27N7O.C24H30N6O2.C23H27FN6O.C23H28N6O/c1-19-9-10-22(29-20(19)2)24-17-23(21-7-4-3-5-8-21)30-33(24)18-25(34)31-13-15-32(16-14-31)26-27-11-6-12-28-26;1-4-18-7-6-8-19(13-18)22-14-20(5-2)30(27-22)17-23(31)28-9-11-29(12-10-28)24-25-15-21(32-3)16-26-24;1-3-17-6-5-7-18(12-17)21-13-20(4-2)30(27-21)16-22(31)28-8-10-29(11-9-28)23-25-14-19(24)15-26-23;1-3-18-7-5-8-19(15-18)21-16-20(4-2)29(26-21)17-22(30)27-11-13-28(14-12-27)23-24-9-6-10-25-23/h3-12,17H,13-16,18H2,1-2H3;6-8,13-16H,4-5,9-12,17H2,1-3H3;5-7,12-15H,3-4,8-11,16H2,1-2H3;5-10,15-16H,3-4,11-14,17H2,1-2H3
InChIKeyNHIKPJIQBWRLMR-UHFFFAOYSA-N
XLogP11.96
TPSA290.72 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds24
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001715.12
LogP ≤ 511.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Analyze 2-[5-(5,6-dimethyl-2-pyridinyl)-3-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[5-ethyl-3-(3-ethylphenyl)pyrazol-1-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(3-ethylphenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(3-ethylphenyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone with MolForge

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Launch Full Analysis

Related Compounds

2-[3-(4-Fluoro-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone
CID 71572515
2-[5-Ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone
CID 71573225
2-[3-(4-Fluoro-3-methylphenyl)-5-propylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone
CID 71573342
2-[5-Ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone
CID 89592964
2-[3-(4-Fluorophenyl)-5-propan-2-ylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone
CID 89592969
2-[3-(4-Fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone
CID 89592973
2-[3-(4-Fluoro-3-methylphenyl)-5-(2-methylpropyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone
CID 89592996
2-[5-Ethyl-3-(4-fluoro-3,5-dimethylphenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone
CID 89593014
2-[3-(4-Fluoro-3-methylphenyl)-5-methylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone
CID 89593106
2-[3-(4-Fluoro-3-methylphenyl)-5-propylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperidin-1-yl]ethanone
CID 89607934
2-[3-(4-fluoro-3-methylphenyl)-5-propylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 89607940
2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 89608020

Frequently Asked Questions

What is the IUPAC name of 2-[5-(5,6-dimethyl-2-pyridinyl)-3-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[5-ethyl-3-(3-ethylphenyl)pyrazol-1-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(3-ethylphenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(3-ethylphenyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[5-(5,6-dimethyl-2-pyridinyl)-3-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[5-ethyl-3-(3-ethylphenyl)pyrazol-1-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(3-ethylphenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(3-ethylphenyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (CID 159780818) is 2-[5-(5,6-dimethyl-2-pyridinyl)-3-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[5-ethyl-3-(3-ethylphenyl)pyrazol-1-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(3-ethylphenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(3-ethylphenyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[5-(5,6-dimethyl-2-pyridinyl)-3-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[5-ethyl-3-(3-ethylphenyl)pyrazol-1-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(3-ethylphenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(3-ethylphenyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[5-(5,6-dimethyl-2-pyridinyl)-3-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[5-ethyl-3-(3-ethylphenyl)pyrazol-1-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(3-ethylphenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(3-ethylphenyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is CCc1cccc(-c2cc(CC)n(CC(=O)N3CCN(c4ncc(F)cn4)CC3)n2)c1.CCc1cccc(-c2cc(CC)n(CC(=O)N3CCN(c4ncc(OC)cn4)CC3)n2)c1.CCc1cccc(-c2cc(CC)n(CC(=O)N3CCN(c4ncccn4)CC3)n2)c1.Cc1ccc(-c2cc(-c3ccccc3)nn2CC(=O)N2CCN(c3ncccn3)CC2)nc1C.
What is the InChIKey of 2-[5-(5,6-dimethyl-2-pyridinyl)-3-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[5-ethyl-3-(3-ethylphenyl)pyrazol-1-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(3-ethylphenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(3-ethylphenyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is NHIKPJIQBWRLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O.C24H30N6O2.C23H27FN6O.C23H28N6O/c1-19-9-10-22(29-20(19)2)24-17-23(21-7-4-3-5-8-21)30-33(24)18-25(34)31-13-15-32(16-14-31)26-27-11-6-12-28-26;1-4-18-7-6-8-19(13-18)22-14-20(5-2)30(27-22)17-23(31)28-9-11-29(12-10-28)24-25-15-21(32-3)16-26-24;1-3-17-6-5-7-18(12-17)21-13-20(4-2)30(27-21)16-22(31)28-8-10-29(11-9-28)23-25-14-19(24)15-26-23;1-3-18-7-5-8-19(15-18)21-16-20(4-2)29(26-21)17-22(30)27-11-13-28(14-12-27)23-24-9-6-10-25-23/h3-12,17H,13-16,18H2,1-2H3;6-8,13-16H,4-5,9-12,17H2,1-3H3;5-7,12-15H,3-4,8-11,16H2,1-2H3;5-10,15-16H,3-4,11-14,17H2,1-2H3.
What are the key properties of 2-[5-(5,6-dimethyl-2-pyridinyl)-3-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[5-ethyl-3-(3-ethylphenyl)pyrazol-1-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(3-ethylphenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(3-ethylphenyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
2-[5-(5,6-dimethyl-2-pyridinyl)-3-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[5-ethyl-3-(3-ethylphenyl)pyrazol-1-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(3-ethylphenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(3-ethylphenyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 1715.12 g/mol, XLogP of 11.96, 24 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5,6-dimethyl-2-pyridinyl)-3-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[5-ethyl-3-(3-ethylphenyl)pyrazol-1-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(3-ethylphenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(3-ethylphenyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 159780818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).