2-[3-(3-chlorophenyl)-5-phenylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[3-(3-chlorophenyl)-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3-(3-chlorophenyl)-5-phenylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(3-chlorophenyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

C103H97Cl4N23O6 — CID 158537965

IUPAC2-[3-(3-chlorophenyl)-5-phenylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[3-(3-chlorophenyl)-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3-(3-chlorophenyl)-5-phenylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(3-chlorophenyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESCOc1cc(N2CCN(C(=O)Cn3nc(-c4cccc(Cl)c4)cc3-c3ccccc3)CC2)ncn1.COc1cnc(N2CCN(C(=O)Cn3nc(-c4cccc(Cl)c4)cc3-c3ccccc3)CC2)nc1.O=C(Cn1nc(-c2cccc(Cl)c2)cc1-c1ccccc1)N1CCN(c2ccccn2)CC1.O=C(Cn1nc(-c2cccc(Cl)c2)cc1-c1ccccc1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/2C26H25ClN6O2.C26H24ClN5O.C25H23ClN6O/c1-35-22-16-28-26(29-17-22)32-12-10-31(11-13-32)25(34)18-33-24(19-6-3-2-4-7-19)15-23(30-33)20-8-5-9-21(27)14-20;1-35-25-16-24(28-18-29-25)31-10-12-32(13-11-31)26(34)17-33-23(19-6-3-2-4-7-19)15-22(30-33)20-8-5-9-21(27)14-20;27-22-10-6-9-21(17-22)23-18-24(20-7-2-1-3-8-20)32(29-23)19-26(33)31-15-13-30(14-16-31)25-11-4-5-12-28-25;26-21-9-4-8-20(16-21)22-17-23(19-6-2-1-3-7-19)32(29-22)18-24(33)30-12-14-31(15-13-30)25-27-10-5-11-28-25/h2-9,14-17H,10-13,18H2,1H3;2-9,14-16,18H,10-13,17H2,1H3;1-12,17-18H,13-16,19H2;1-11,16-17H,12-15,18H2
InChIKeyHOECLNNMWGVKEY-UHFFFAOYSA-N
MW1894.88 g/mol
LogP16.66
Rot. Bonds22

About 2-[3-(3-chlorophenyl)-5-phenylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[3-(3-chlorophenyl)-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3-(3-chlorophenyl)-5-phenylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(3-chlorophenyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

2-[3-(3-chlorophenyl)-5-phenylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[3-(3-chlorophenyl)-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3-(3-chlorophenyl)-5-phenylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(3-chlorophenyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (PubChem CID 158537965) has the molecular formula C103H97Cl4N23O6 and a molecular weight of 1894.88 g/mol. Its IUPAC name is 2-[3-(3-chlorophenyl)-5-phenylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[3-(3-chlorophenyl)-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3-(3-chlorophenyl)-5-phenylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(3-chlorophenyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[3-(3-chlorophenyl)-5-phenylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[3-(3-chlorophenyl)-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3-(3-chlorophenyl)-5-phenylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(3-chlorophenyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
PubChem CID158537965
Molecular FormulaC103H97Cl4N23O6
Molecular Weight1894.88 g/mol
Exact Mass1891.67
IUPAC Name2-[3-(3-chlorophenyl)-5-phenylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[3-(3-chlorophenyl)-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3-(3-chlorophenyl)-5-phenylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(3-chlorophenyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESCOc1cc(N2CCN(C(=O)Cn3nc(-c4cccc(Cl)c4)cc3-c3ccccc3)CC2)ncn1.COc1cnc(N2CCN(C(=O)Cn3nc(-c4cccc(Cl)c4)cc3-c3ccccc3)CC2)nc1.O=C(Cn1nc(-c2cccc(Cl)c2)cc1-c1ccccc1)N1CCN(c2ccccn2)CC1.O=C(Cn1nc(-c2cccc(Cl)c2)cc1-c1ccccc1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/2C26H25ClN6O2.C26H24ClN5O.C25H23ClN6O/c1-35-22-16-28-26(29-17-22)32-12-10-31(11-13-32)25(34)18-33-24(19-6-3-2-4-7-19)15-23(30-33)20-8-5-9-21(27)14-20;1-35-25-16-24(28-18-29-25)31-10-12-32(13-11-31)26(34)17-33-23(19-6-3-2-4-7-19)15-22(30-33)20-8-5-9-21(27)14-20;27-22-10-6-9-21(17-22)23-18-24(20-7-2-1-3-8-20)32(29-23)19-26(33)31-15-13-30(14-16-31)25-11-4-5-12-28-25;26-21-9-4-8-20(16-21)22-17-23(19-6-2-1-3-7-19)32(29-22)18-24(33)30-12-14-31(15-13-30)25-27-10-5-11-28-25/h2-9,14-17H,10-13,18H2,1H3;2-9,14-16,18H,10-13,17H2,1H3;1-12,17-18H,13-16,19H2;1-11,16-17H,12-15,18H2
InChIKeyHOECLNNMWGVKEY-UHFFFAOYSA-N
XLogP16.66
TPSA274.17 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds22
Heavy Atoms136
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001894.88
LogP ≤ 516.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Analyze 2-[3-(3-chlorophenyl)-5-phenylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[3-(3-chlorophenyl)-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3-(3-chlorophenyl)-5-phenylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(3-chlorophenyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-chlorophenyl)-5-phenylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[3-(3-chlorophenyl)-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3-(3-chlorophenyl)-5-phenylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(3-chlorophenyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[3-(3-chlorophenyl)-5-phenylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[3-(3-chlorophenyl)-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3-(3-chlorophenyl)-5-phenylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(3-chlorophenyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (CID 158537965) is 2-[3-(3-chlorophenyl)-5-phenylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[3-(3-chlorophenyl)-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3-(3-chlorophenyl)-5-phenylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(3-chlorophenyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[3-(3-chlorophenyl)-5-phenylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[3-(3-chlorophenyl)-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3-(3-chlorophenyl)-5-phenylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(3-chlorophenyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[3-(3-chlorophenyl)-5-phenylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[3-(3-chlorophenyl)-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3-(3-chlorophenyl)-5-phenylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(3-chlorophenyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is COc1cc(N2CCN(C(=O)Cn3nc(-c4cccc(Cl)c4)cc3-c3ccccc3)CC2)ncn1.COc1cnc(N2CCN(C(=O)Cn3nc(-c4cccc(Cl)c4)cc3-c3ccccc3)CC2)nc1.O=C(Cn1nc(-c2cccc(Cl)c2)cc1-c1ccccc1)N1CCN(c2ccccn2)CC1.O=C(Cn1nc(-c2cccc(Cl)c2)cc1-c1ccccc1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-[3-(3-chlorophenyl)-5-phenylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[3-(3-chlorophenyl)-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3-(3-chlorophenyl)-5-phenylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(3-chlorophenyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is HOECLNNMWGVKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H25ClN6O2.C26H24ClN5O.C25H23ClN6O/c1-35-22-16-28-26(29-17-22)32-12-10-31(11-13-32)25(34)18-33-24(19-6-3-2-4-7-19)15-23(30-33)20-8-5-9-21(27)14-20;1-35-25-16-24(28-18-29-25)31-10-12-32(13-11-31)26(34)17-33-23(19-6-3-2-4-7-19)15-22(30-33)20-8-5-9-21(27)14-20;27-22-10-6-9-21(17-22)23-18-24(20-7-2-1-3-8-20)32(29-23)19-26(33)31-15-13-30(14-16-31)25-11-4-5-12-28-25;26-21-9-4-8-20(16-21)22-17-23(19-6-2-1-3-7-19)32(29-22)18-24(33)30-12-14-31(15-13-30)25-27-10-5-11-28-25/h2-9,14-17H,10-13,18H2,1H3;2-9,14-16,18H,10-13,17H2,1H3;1-12,17-18H,13-16,19H2;1-11,16-17H,12-15,18H2.
What are the key properties of 2-[3-(3-chlorophenyl)-5-phenylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[3-(3-chlorophenyl)-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3-(3-chlorophenyl)-5-phenylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(3-chlorophenyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
2-[3-(3-chlorophenyl)-5-phenylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[3-(3-chlorophenyl)-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3-(3-chlorophenyl)-5-phenylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(3-chlorophenyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 1894.88 g/mol, XLogP of 16.66, 22 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-chlorophenyl)-5-phenylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[3-(3-chlorophenyl)-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3-(3-chlorophenyl)-5-phenylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(3-chlorophenyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 158537965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).