5-chloro-2-[4-[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]-4-methoxybenzoyl cyanide;1-[4-[4-chloro-5-methoxy-2-(4-pyridin-4-ylpiperazine-1-carbonyl)phenyl]piperazin-1-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;dichloromethane;1-pyridin-4-ylpiperazine

C58H63Cl6F6N15O6 — CID 158328942

About 5-chloro-2-[4-[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]-4-methoxybenzoyl cyanide;1-[4-[4-chloro-5-methoxy-2-(4-pyridin-4-ylpiperazine-1-carbonyl)phenyl]piperazin-1-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;dichloromethane;1-pyridin-4-ylpiperazine

5-chloro-2-[4-[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]-4-methoxybenzoyl cyanide;1-[4-[4-chloro-5-methoxy-2-(4-pyridin-4-ylpiperazine-1-carbonyl)phenyl]piperazin-1-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;dichloromethane;1-pyridin-4-ylpiperazine (PubChem CID 158328942) has the molecular formula C58H63Cl6F6N15O6 and a molecular weight of 1392.95 g/mol. Its IUPAC name is 5-chloro-2-[4-[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]-4-methoxybenzoyl cyanide;1-[4-[4-chloro-5-methoxy-2-(4-pyridin-4-ylpiperazine-1-carbonyl)phenyl]piperazin-1-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;dichloromethane;1-pyridin-4-ylpiperazine.

Molecular Properties

• Compound Name: 5-chloro-2-[4-[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]-4-methoxybenzoyl cyanide;1-[4-[4-chloro-5-methoxy-2-(4-pyridin-4-ylpiperazine-1-carbonyl)phenyl]piperazin-1-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;dichloromethane;1-pyridin-4-ylpiperazine
• PubChem CID: 158328942
• Molecular Formula: C58H63Cl6F6N15O6
• Molecular Weight: 1392.95 g/mol
• Exact Mass: 1389.31
• IUPAC Name: 5-chloro-2-[4-[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]-4-methoxybenzoyl cyanide;1-[4-[4-chloro-5-methoxy-2-(4-pyridin-4-ylpiperazine-1-carbonyl)phenyl]piperazin-1-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;dichloromethane;1-pyridin-4-ylpiperazine
• SMILES: COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)c(C(=O)C#N)cc1Cl.COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)c(C(=O)N2CCN(c3ccncc3)CC2)cc1Cl.ClCCl.c1cc(N2CCNCC2)ccn1
• InChI: InChI=1S/C28H30Cl2F3N7O3.C20H18Cl2F3N5O3.C9H13N3.CH2Cl2/c1-18-25(30)26(28(31,32)33)35-40(18)17-24(41)38-11-9-37(10-12-38)22-16-23(43-2)21(29)15-20(22)27(42)39-13-7-36(8-14-39)19-3-5-34-6-4-19;1-11-18(22)19(20(23,24)25)27-30(11)10-17(32)29-5-3-28(4-6-29)14-8-16(33-2)13(21)7-12(14)15(31)9-26;1-3-10-4-2-9(1)12-7-5-11-6-8-12;2-1-3/h3-6,15-16H,7-14,17H2,1-2H3;7-8H,3-6,10H2,1-2H3;1-4,11H,5-8H2;1H2
• InChIKey: GPTPGNHYSRARBC-UHFFFAOYSA-N
• XLogP: 9.73
• TPSA: 206.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 18
• Rotatable Bonds: 12
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1392.95
LogP ≤ 5	9.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[4-[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]-4-methoxybenzoyl cyanide;1-[4-[4-chloro-5-methoxy-2-(4-pyridin-4-ylpiperazine-1-carbonyl)phenyl]piperazin-1-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;dichloromethane;1-pyridin-4-ylpiperazine?

The IUPAC name of 5-chloro-2-[4-[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]-4-methoxybenzoyl cyanide;1-[4-[4-chloro-5-methoxy-2-(4-pyridin-4-ylpiperazine-1-carbonyl)phenyl]piperazin-1-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;dichloromethane;1-pyridin-4-ylpiperazine (CID 158328942) is 5-chloro-2-[4-[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]-4-methoxybenzoyl cyanide;1-[4-[4-chloro-5-methoxy-2-(4-pyridin-4-ylpiperazine-1-carbonyl)phenyl]piperazin-1-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;dichloromethane;1-pyridin-4-ylpiperazine.

What is the SMILES notation for 5-chloro-2-[4-[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]-4-methoxybenzoyl cyanide;1-[4-[4-chloro-5-methoxy-2-(4-pyridin-4-ylpiperazine-1-carbonyl)phenyl]piperazin-1-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;dichloromethane;1-pyridin-4-ylpiperazine?

The canonical SMILES for 5-chloro-2-[4-[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]-4-methoxybenzoyl cyanide;1-[4-[4-chloro-5-methoxy-2-(4-pyridin-4-ylpiperazine-1-carbonyl)phenyl]piperazin-1-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;dichloromethane;1-pyridin-4-ylpiperazine is COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)c(C(=O)C#N)cc1Cl.COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)c(C(=O)N2CCN(c3ccncc3)CC2)cc1Cl.ClCCl.c1cc(N2CCNCC2)ccn1.

What is the InChIKey of 5-chloro-2-[4-[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]-4-methoxybenzoyl cyanide;1-[4-[4-chloro-5-methoxy-2-(4-pyridin-4-ylpiperazine-1-carbonyl)phenyl]piperazin-1-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;dichloromethane;1-pyridin-4-ylpiperazine?

The InChIKey is GPTPGNHYSRARBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30Cl2F3N7O3.C20H18Cl2F3N5O3.C9H13N3.CH2Cl2/c1-18-25(30)26(28(31,32)33)35-40(18)17-24(41)38-11-9-37(10-12-38)22-16-23(43-2)21(29)15-20(22)27(42)39-13-7-36(8-14-39)19-3-5-34-6-4-19;1-11-18(22)19(20(23,24)25)27-30(11)10-17(32)29-5-3-28(4-6-29)14-8-16(33-2)13(21)7-12(14)15(31)9-26;1-3-10-4-2-9(1)12-7-5-11-6-8-12;2-1-3/h3-6,15-16H,7-14,17H2,1-2H3;7-8H,3-6,10H2,1-2H3;1-4,11H,5-8H2;1H2.

What are the key properties of 5-chloro-2-[4-[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]-4-methoxybenzoyl cyanide;1-[4-[4-chloro-5-methoxy-2-(4-pyridin-4-ylpiperazine-1-carbonyl)phenyl]piperazin-1-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;dichloromethane;1-pyridin-4-ylpiperazine?

5-chloro-2-[4-[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]-4-methoxybenzoyl cyanide;1-[4-[4-chloro-5-methoxy-2-(4-pyridin-4-ylpiperazine-1-carbonyl)phenyl]piperazin-1-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;dichloromethane;1-pyridin-4-ylpiperazine has a molecular weight of 1392.95 g/mol, XLogP of 9.73, 12 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2-[4-[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]-4-methoxybenzoyl cyanide;1-[4-[4-chloro-5-methoxy-2-(4-pyridin-4-ylpiperazine-1-carbonyl)phenyl]piperazin-1-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;dichloromethane;1-pyridin-4-ylpiperazine is sourced from PubChem (CID 158328942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).