2-[5-(4-chlorothiophen-2-yl)-3-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[5-ethyl-3-(4-fluoro-3,5-dimethylphenyl)pyrazol-1-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone

C100H105ClF4N20O6S — CID 159174826

IUPAC2-[5-(4-chlorothiophen-2-yl)-3-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[5-ethyl-3-(4-fluoro-3,5-dimethylphenyl)pyrazol-1-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCCc1cc(-c2cc(C)c(F)c(C)c2)nn1CC(=O)N1CCN(c2ncc(F)cn2)CC1.CCc1cc(-c2ccc(F)c(C)c2)nn1CC(=O)N1CCN(c2cccc(OC)c2)CC1.COc1cccc(N2CCN(C(=O)Cn3nc(-c4ccc(F)c(C)c4)cc3-c3ccccc3)CC2)c1.O=C(Cn1nc(-c2ccccc2)cc1-c1cc(Cl)cs1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C29H29FN4O2.C25H29FN4O2.C23H21ClN6OS.C23H26F2N6O/c1-21-17-23(11-12-26(21)30)27-19-28(22-7-4-3-5-8-22)34(31-27)20-29(35)33-15-13-32(14-16-33)24-9-6-10-25(18-24)36-2;1-4-20-16-24(19-8-9-23(26)18(2)14-19)27-30(20)17-25(31)29-12-10-28(11-13-29)21-6-5-7-22(15-21)32-3;24-18-13-21(32-16-18)20-14-19(17-5-2-1-3-6-17)27-30(20)15-22(31)28-9-11-29(12-10-28)23-25-7-4-8-26-23;1-4-19-11-20(17-9-15(2)22(25)16(3)10-17)28-31(19)14-21(32)29-5-7-30(8-6-29)23-26-12-18(24)13-27-23/h3-12,17-19H,13-16,20H2,1-2H3;5-9,14-16H,4,10-13,17H2,1-3H3;1-8,13-14,16H,9-12,15H2;9-13H,4-8,14H2,1-3H3
InChIKeyKMDITPXFAJEJHX-UHFFFAOYSA-N
MW1826.59 g/mol
LogP16.16
Rot. Bonds22

About 2-[5-(4-chlorothiophen-2-yl)-3-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[5-ethyl-3-(4-fluoro-3,5-dimethylphenyl)pyrazol-1-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone

2-[5-(4-chlorothiophen-2-yl)-3-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[5-ethyl-3-(4-fluoro-3,5-dimethylphenyl)pyrazol-1-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone (PubChem CID 159174826) has the molecular formula C100H105ClF4N20O6S and a molecular weight of 1826.59 g/mol. Its IUPAC name is 2-[5-(4-chlorothiophen-2-yl)-3-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[5-ethyl-3-(4-fluoro-3,5-dimethylphenyl)pyrazol-1-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[5-(4-chlorothiophen-2-yl)-3-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[5-ethyl-3-(4-fluoro-3,5-dimethylphenyl)pyrazol-1-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone
PubChem CID159174826
Molecular FormulaC100H105ClF4N20O6S
Molecular Weight1826.59 g/mol
Exact Mass1824.79
IUPAC Name2-[5-(4-chlorothiophen-2-yl)-3-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[5-ethyl-3-(4-fluoro-3,5-dimethylphenyl)pyrazol-1-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCCc1cc(-c2cc(C)c(F)c(C)c2)nn1CC(=O)N1CCN(c2ncc(F)cn2)CC1.CCc1cc(-c2ccc(F)c(C)c2)nn1CC(=O)N1CCN(c2cccc(OC)c2)CC1.COc1cccc(N2CCN(C(=O)Cn3nc(-c4ccc(F)c(C)c4)cc3-c3ccccc3)CC2)c1.O=C(Cn1nc(-c2ccccc2)cc1-c1cc(Cl)cs1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C29H29FN4O2.C25H29FN4O2.C23H21ClN6OS.C23H26F2N6O/c1-21-17-23(11-12-26(21)30)27-19-28(22-7-4-3-5-8-22)34(31-27)20-29(35)33-15-13-32(14-16-33)24-9-6-10-25(18-24)36-2;1-4-20-16-24(19-8-9-23(26)18(2)14-19)27-30(20)17-25(31)29-12-10-28(11-13-29)21-6-5-7-22(15-21)32-3;24-18-13-21(32-16-18)20-14-19(17-5-2-1-3-6-17)27-30(20)15-22(31)28-9-11-29(12-10-28)23-25-7-4-8-26-23;1-4-19-11-20(17-9-15(2)22(25)16(3)10-17)28-31(19)14-21(32)29-5-7-30(8-6-29)23-26-12-18(24)13-27-23/h3-12,17-19H,13-16,20H2,1-2H3;5-9,14-16H,4,10-13,17H2,1-3H3;1-8,13-14,16H,9-12,15H2;9-13H,4-8,14H2,1-3H3
InChIKeyKMDITPXFAJEJHX-UHFFFAOYSA-N
XLogP16.16
TPSA235.50 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds22
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001826.59
LogP ≤ 516.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Analyze 2-[5-(4-chlorothiophen-2-yl)-3-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[5-ethyl-3-(4-fluoro-3,5-dimethylphenyl)pyrazol-1-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone with MolForge

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Related Compounds

4-[2-[3,5-bis(4-fluorophenyl)pyrazol-1-yl]acetyl]-1-(3-methoxyphenyl)piperazin-2-one;2-[3,5-bis(4-fluorophenyl)pyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperidin-1-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 158243946
1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-indazol-2-ylethanone;1-[4-(4-chloro-2-fluoro-5-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[3,4-b]pyridin-2-ylethanone;1-[4-(4-chloro-2-fluoro-5-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-pyridin-2-ylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[3-(1,3-thiazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone
CID 159330676
2-[3,5-Bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-[4-(4-chloro-2-pyridinyl)piperazin-1-yl]ethanone;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-[4-(5-methoxypyridazin-3-yl)piperazin-1-yl]ethanone;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone
CID 159748043
1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-(3-pyridin-2-ylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[3-(1,3-thiazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[4-(4-chloro-2-fluoro-5-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone
CID 160084154

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorothiophen-2-yl)-3-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[5-ethyl-3-(4-fluoro-3,5-dimethylphenyl)pyrazol-1-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-[5-(4-chlorothiophen-2-yl)-3-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[5-ethyl-3-(4-fluoro-3,5-dimethylphenyl)pyrazol-1-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone (CID 159174826) is 2-[5-(4-chlorothiophen-2-yl)-3-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[5-ethyl-3-(4-fluoro-3,5-dimethylphenyl)pyrazol-1-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[5-(4-chlorothiophen-2-yl)-3-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[5-ethyl-3-(4-fluoro-3,5-dimethylphenyl)pyrazol-1-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-[5-(4-chlorothiophen-2-yl)-3-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[5-ethyl-3-(4-fluoro-3,5-dimethylphenyl)pyrazol-1-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone is CCc1cc(-c2cc(C)c(F)c(C)c2)nn1CC(=O)N1CCN(c2ncc(F)cn2)CC1.CCc1cc(-c2ccc(F)c(C)c2)nn1CC(=O)N1CCN(c2cccc(OC)c2)CC1.COc1cccc(N2CCN(C(=O)Cn3nc(-c4ccc(F)c(C)c4)cc3-c3ccccc3)CC2)c1.O=C(Cn1nc(-c2ccccc2)cc1-c1cc(Cl)cs1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-[5-(4-chlorothiophen-2-yl)-3-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[5-ethyl-3-(4-fluoro-3,5-dimethylphenyl)pyrazol-1-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone?
The InChIKey is KMDITPXFAJEJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29FN4O2.C25H29FN4O2.C23H21ClN6OS.C23H26F2N6O/c1-21-17-23(11-12-26(21)30)27-19-28(22-7-4-3-5-8-22)34(31-27)20-29(35)33-15-13-32(14-16-33)24-9-6-10-25(18-24)36-2;1-4-20-16-24(19-8-9-23(26)18(2)14-19)27-30(20)17-25(31)29-12-10-28(11-13-29)21-6-5-7-22(15-21)32-3;24-18-13-21(32-16-18)20-14-19(17-5-2-1-3-6-17)27-30(20)15-22(31)28-9-11-29(12-10-28)23-25-7-4-8-26-23;1-4-19-11-20(17-9-15(2)22(25)16(3)10-17)28-31(19)14-21(32)29-5-7-30(8-6-29)23-26-12-18(24)13-27-23/h3-12,17-19H,13-16,20H2,1-2H3;5-9,14-16H,4,10-13,17H2,1-3H3;1-8,13-14,16H,9-12,15H2;9-13H,4-8,14H2,1-3H3.
What are the key properties of 2-[5-(4-chlorothiophen-2-yl)-3-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[5-ethyl-3-(4-fluoro-3,5-dimethylphenyl)pyrazol-1-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone?
2-[5-(4-chlorothiophen-2-yl)-3-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[5-ethyl-3-(4-fluoro-3,5-dimethylphenyl)pyrazol-1-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone has a molecular weight of 1826.59 g/mol, XLogP of 16.16, 22 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorothiophen-2-yl)-3-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[5-ethyl-3-(4-fluoro-3,5-dimethylphenyl)pyrazol-1-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 159174826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).