2-chloro-1-[(2S)-4-(4-chloro-3-methoxyphenyl)-2-methylpiperazin-1-yl]ethanone;1-[(2S)-4-(4-chloro-3-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[4-chloro-3-pyridin-2-yl-5-(trifluoromethyl)pyrazol-1-yl]ethanone;1-[(2S)-4-(4-chloro-3-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[4-chloro-5-pyridin-2-yl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;2-[4-chloro-5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine

C69H67Cl7F9N15O6 — CID 158028270

IUPAC2-chloro-1-[(2S)-4-(4-chloro-3-methoxyphenyl)-2-methylpiperazin-1-yl]ethanone;1-[(2S)-4-(4-chloro-3-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[4-chloro-3-pyridin-2-yl-5-(trifluoromethyl)pyrazol-1-yl]ethanone;1-[(2S)-4-(4-chloro-3-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[4-chloro-5-pyridin-2-yl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;2-[4-chloro-5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
SMILESCOc1cc(N2CCN(C(=O)CCl)[C@@H](C)C2)ccc1Cl.COc1cc(N2CCN(C(=O)Cn3nc(-c4ccccn4)c(Cl)c3C(F)(F)F)[C@@H](C)C2)ccc1Cl.COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3-c3ccccn3)[C@@H](C)C2)ccc1Cl.FC(F)(F)c1[nH]nc(-c2ccccn2)c1Cl
InChIInChI=1S/2C23H22Cl2F3N5O2.C14H18Cl2N2O2.C9H5ClF3N3/c1-14-12-31(15-6-7-16(24)18(11-15)35-2)9-10-32(14)19(34)13-33-21(17-5-3-4-8-29-17)20(25)22(30-33)23(26,27)28;1-14-12-31(15-6-7-16(24)18(11-15)35-2)9-10-32(14)19(34)13-33-22(23(26,27)28)20(25)21(30-33)17-5-3-4-8-29-17;1-10-9-17(5-6-18(10)14(19)8-15)11-3-4-12(16)13(7-11)20-2;10-6-7(5-3-1-2-4-14-5)15-16-8(6)9(11,12)13/h2*3-8,11,14H,9-10,12-13H2,1-2H3;3-4,7,10H,5-6,8-9H2,1-2H3;1-4H,(H,15,16)/t2*14-;10-;/m000./s1
InChIKeyFGWCLAOTTHEQTA-CPWDCBCYSA-N
MW1621.55 g/mol
LogP15.80
Rot. Bonds14

About 2-chloro-1-[(2S)-4-(4-chloro-3-methoxyphenyl)-2-methylpiperazin-1-yl]ethanone;1-[(2S)-4-(4-chloro-3-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[4-chloro-3-pyridin-2-yl-5-(trifluoromethyl)pyrazol-1-yl]ethanone;1-[(2S)-4-(4-chloro-3-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[4-chloro-5-pyridin-2-yl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;2-[4-chloro-5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine

2-chloro-1-[(2S)-4-(4-chloro-3-methoxyphenyl)-2-methylpiperazin-1-yl]ethanone;1-[(2S)-4-(4-chloro-3-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[4-chloro-3-pyridin-2-yl-5-(trifluoromethyl)pyrazol-1-yl]ethanone;1-[(2S)-4-(4-chloro-3-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[4-chloro-5-pyridin-2-yl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;2-[4-chloro-5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine (PubChem CID 158028270) has the molecular formula C69H67Cl7F9N15O6 and a molecular weight of 1621.55 g/mol. Its IUPAC name is 2-chloro-1-[(2S)-4-(4-chloro-3-methoxyphenyl)-2-methylpiperazin-1-yl]ethanone;1-[(2S)-4-(4-chloro-3-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[4-chloro-3-pyridin-2-yl-5-(trifluoromethyl)pyrazol-1-yl]ethanone;1-[(2S)-4-(4-chloro-3-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[4-chloro-5-pyridin-2-yl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;2-[4-chloro-5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine.

Molecular Properties

Compound Name2-chloro-1-[(2S)-4-(4-chloro-3-methoxyphenyl)-2-methylpiperazin-1-yl]ethanone;1-[(2S)-4-(4-chloro-3-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[4-chloro-3-pyridin-2-yl-5-(trifluoromethyl)pyrazol-1-yl]ethanone;1-[(2S)-4-(4-chloro-3-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[4-chloro-5-pyridin-2-yl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;2-[4-chloro-5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
PubChem CID158028270
Molecular FormulaC69H67Cl7F9N15O6
Molecular Weight1621.55 g/mol
Exact Mass1617.31
IUPAC Name2-chloro-1-[(2S)-4-(4-chloro-3-methoxyphenyl)-2-methylpiperazin-1-yl]ethanone;1-[(2S)-4-(4-chloro-3-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[4-chloro-3-pyridin-2-yl-5-(trifluoromethyl)pyrazol-1-yl]ethanone;1-[(2S)-4-(4-chloro-3-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[4-chloro-5-pyridin-2-yl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;2-[4-chloro-5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
SMILESCOc1cc(N2CCN(C(=O)CCl)[C@@H](C)C2)ccc1Cl.COc1cc(N2CCN(C(=O)Cn3nc(-c4ccccn4)c(Cl)c3C(F)(F)F)[C@@H](C)C2)ccc1Cl.COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3-c3ccccn3)[C@@H](C)C2)ccc1Cl.FC(F)(F)c1[nH]nc(-c2ccccn2)c1Cl
InChIInChI=1S/2C23H22Cl2F3N5O2.C14H18Cl2N2O2.C9H5ClF3N3/c1-14-12-31(15-6-7-16(24)18(11-15)35-2)9-10-32(14)19(34)13-33-21(17-5-3-4-8-29-17)20(25)22(30-33)23(26,27)28;1-14-12-31(15-6-7-16(24)18(11-15)35-2)9-10-32(14)19(34)13-33-22(23(26,27)28)20(25)21(30-33)17-5-3-4-8-29-17;1-10-9-17(5-6-18(10)14(19)8-15)11-3-4-12(16)13(7-11)20-2;10-6-7(5-3-1-2-4-14-5)15-16-8(6)9(11,12)13/h2*3-8,11,14H,9-10,12-13H2,1-2H3;3-4,7,10H,5-6,8-9H2,1-2H3;1-4H,(H,15,16)/t2*14-;10-;/m000./s1
InChIKeyFGWCLAOTTHEQTA-CPWDCBCYSA-N
XLogP15.80
TPSA201.33 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds14
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001621.55
LogP ≤ 515.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-chloro-1-[(2S)-4-(4-chloro-3-methoxyphenyl)-2-methylpiperazin-1-yl]ethanone;1-[(2S)-4-(4-chloro-3-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[4-chloro-3-pyridin-2-yl-5-(trifluoromethyl)pyrazol-1-yl]ethanone;1-[(2S)-4-(4-chloro-3-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[4-chloro-5-pyridin-2-yl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;2-[4-chloro-5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine with MolForge

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Related Compounds

1-[(2S)-4-(4-chloro-3-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[4-chloro-3-pyridin-2-yl-5-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 57840166
1-[(2S)-4-(4-chloro-3-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[4-chloro-5-pyridin-2-yl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 57840349
1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[4-chloro-3-pyridin-2-yl-5-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 57840418
1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[4-chloro-5-pyridin-2-yl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 57840441
2-(4-chloro-3,5-dipyridin-2-ylpyrazol-1-yl)-1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]ethanone
CID 57840523
1-[4-(4-Chloro-3-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[4-chloro-3-pyridin-2-yl-5-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 68652646
2-(4-Chloro-3,5-dipyridin-2-ylpyrazol-1-yl)-1-[4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]ethanone
CID 68652857
1-[4-(4-Chloro-3-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[4-chloro-5-pyridin-2-yl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 68652913
1-[4-(4-Chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[4-chloro-3-pyridin-2-yl-5-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 76580143
1-[4-(4-Chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[4-chloro-5-pyridin-2-yl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 76580144
1-(4-Chloro-3-methoxyphenyl)piperazine;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[4-chloro-5-(pyrazol-1-ylmethyl)-3-(trifluoromethyl)pyrazol-1-yl]ethanone;2-[4-chloro-5-(pyrazol-1-ylmethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetic acid;methane
CID 158095250
2-chloro-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;4-chloro-3-iodo-5-(trifluoromethyl)-1H-pyrazole;2-[4-chloro-5-iodo-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;methane
CID 158614008

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[(2S)-4-(4-chloro-3-methoxyphenyl)-2-methylpiperazin-1-yl]ethanone;1-[(2S)-4-(4-chloro-3-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[4-chloro-3-pyridin-2-yl-5-(trifluoromethyl)pyrazol-1-yl]ethanone;1-[(2S)-4-(4-chloro-3-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[4-chloro-5-pyridin-2-yl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;2-[4-chloro-5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?
The IUPAC name of 2-chloro-1-[(2S)-4-(4-chloro-3-methoxyphenyl)-2-methylpiperazin-1-yl]ethanone;1-[(2S)-4-(4-chloro-3-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[4-chloro-3-pyridin-2-yl-5-(trifluoromethyl)pyrazol-1-yl]ethanone;1-[(2S)-4-(4-chloro-3-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[4-chloro-5-pyridin-2-yl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;2-[4-chloro-5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine (CID 158028270) is 2-chloro-1-[(2S)-4-(4-chloro-3-methoxyphenyl)-2-methylpiperazin-1-yl]ethanone;1-[(2S)-4-(4-chloro-3-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[4-chloro-3-pyridin-2-yl-5-(trifluoromethyl)pyrazol-1-yl]ethanone;1-[(2S)-4-(4-chloro-3-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[4-chloro-5-pyridin-2-yl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;2-[4-chloro-5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine.
What is the SMILES notation for 2-chloro-1-[(2S)-4-(4-chloro-3-methoxyphenyl)-2-methylpiperazin-1-yl]ethanone;1-[(2S)-4-(4-chloro-3-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[4-chloro-3-pyridin-2-yl-5-(trifluoromethyl)pyrazol-1-yl]ethanone;1-[(2S)-4-(4-chloro-3-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[4-chloro-5-pyridin-2-yl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;2-[4-chloro-5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?
The canonical SMILES for 2-chloro-1-[(2S)-4-(4-chloro-3-methoxyphenyl)-2-methylpiperazin-1-yl]ethanone;1-[(2S)-4-(4-chloro-3-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[4-chloro-3-pyridin-2-yl-5-(trifluoromethyl)pyrazol-1-yl]ethanone;1-[(2S)-4-(4-chloro-3-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[4-chloro-5-pyridin-2-yl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;2-[4-chloro-5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine is COc1cc(N2CCN(C(=O)CCl)[C@@H](C)C2)ccc1Cl.COc1cc(N2CCN(C(=O)Cn3nc(-c4ccccn4)c(Cl)c3C(F)(F)F)[C@@H](C)C2)ccc1Cl.COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3-c3ccccn3)[C@@H](C)C2)ccc1Cl.FC(F)(F)c1[nH]nc(-c2ccccn2)c1Cl.
What is the InChIKey of 2-chloro-1-[(2S)-4-(4-chloro-3-methoxyphenyl)-2-methylpiperazin-1-yl]ethanone;1-[(2S)-4-(4-chloro-3-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[4-chloro-3-pyridin-2-yl-5-(trifluoromethyl)pyrazol-1-yl]ethanone;1-[(2S)-4-(4-chloro-3-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[4-chloro-5-pyridin-2-yl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;2-[4-chloro-5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?
The InChIKey is FGWCLAOTTHEQTA-CPWDCBCYSA-N. The full InChI is InChI=1S/2C23H22Cl2F3N5O2.C14H18Cl2N2O2.C9H5ClF3N3/c1-14-12-31(15-6-7-16(24)18(11-15)35-2)9-10-32(14)19(34)13-33-21(17-5-3-4-8-29-17)20(25)22(30-33)23(26,27)28;1-14-12-31(15-6-7-16(24)18(11-15)35-2)9-10-32(14)19(34)13-33-22(23(26,27)28)20(25)21(30-33)17-5-3-4-8-29-17;1-10-9-17(5-6-18(10)14(19)8-15)11-3-4-12(16)13(7-11)20-2;10-6-7(5-3-1-2-4-14-5)15-16-8(6)9(11,12)13/h2*3-8,11,14H,9-10,12-13H2,1-2H3;3-4,7,10H,5-6,8-9H2,1-2H3;1-4H,(H,15,16)/t2*14-;10-;/m000./s1.
What are the key properties of 2-chloro-1-[(2S)-4-(4-chloro-3-methoxyphenyl)-2-methylpiperazin-1-yl]ethanone;1-[(2S)-4-(4-chloro-3-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[4-chloro-3-pyridin-2-yl-5-(trifluoromethyl)pyrazol-1-yl]ethanone;1-[(2S)-4-(4-chloro-3-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[4-chloro-5-pyridin-2-yl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;2-[4-chloro-5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?
2-chloro-1-[(2S)-4-(4-chloro-3-methoxyphenyl)-2-methylpiperazin-1-yl]ethanone;1-[(2S)-4-(4-chloro-3-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[4-chloro-3-pyridin-2-yl-5-(trifluoromethyl)pyrazol-1-yl]ethanone;1-[(2S)-4-(4-chloro-3-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[4-chloro-5-pyridin-2-yl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;2-[4-chloro-5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine has a molecular weight of 1621.55 g/mol, XLogP of 15.80, 14 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[(2S)-4-(4-chloro-3-methoxyphenyl)-2-methylpiperazin-1-yl]ethanone;1-[(2S)-4-(4-chloro-3-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[4-chloro-3-pyridin-2-yl-5-(trifluoromethyl)pyrazol-1-yl]ethanone;1-[(2S)-4-(4-chloro-3-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[4-chloro-5-pyridin-2-yl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;2-[4-chloro-5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine is sourced from PubChem (CID 158028270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).