2,6-bis[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;2,6-bis[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyridine;2,6-bis[[3,5-di(propan-2-yl)pyrazol-1-yl]methyl]pyridine;2-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-6-[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;1-[2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]ethyl]-3,5-dimethylpyrazole;1-[6-(C-methyl-N-phenylcarbonimidoyl)-2-pyridinyl]-N-phenylethanimine;N-phenyl-1-[6-(phenyliminomethyl)-2-pyridinyl]methanimine;1-[2-(2-pyrazol-1-ylethoxy)ethyl]pyrazole

C138H162F6N36O2 — CID 159134195

IUPAC2,6-bis[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;2,6-bis[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyridine;2,6-bis[[3,5-di(propan-2-yl)pyrazol-1-yl]methyl]pyridine;2-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-6-[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;1-[2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]ethyl]-3,5-dimethylpyrazole;1-[6-(C-methyl-N-phenylcarbonimidoyl)-2-pyridinyl]-N-phenylethanimine;N-phenyl-1-[6-(phenyliminomethyl)-2-pyridinyl]methanimine;1-[2-(2-pyrazol-1-ylethoxy)ethyl]pyrazole
SMILESC(=N/c1ccccc1)\c1cccc(/C=N/c2ccccc2)n1.C/C(=N\c1ccccc1)c1cccc(/C(C)=N/c2ccccc2)n1.CC(C)c1cc(C(C)C)n(Cc2cccc(Cn3nc(C(C)C)cc3C(C)C)n2)n1.Cc1cc(C)n(CCOCCn2nc(C)cc2C)n1.Cc1cc(C)n(Cc2cccc(Cn3nc(C(F)(F)F)cc3C(F)(F)F)n2)n1.Cc1cc(C)n(Cc2cccc(Cn3nc(C)cc3C)n2)n1.Cc1nc(C)n(Cc2cccc(Cn3nc(C)nc3C)n2)n1.c1cnn(CCOCCn2cccn2)c1
InChIInChI=1S/C25H37N5.C21H19N3.C19H15N3.C17H15F6N5.C17H21N5.C15H19N7.C14H22N4O.C10H14N4O/c1-16(2)22-12-24(18(5)6)29(27-22)14-20-10-9-11-21(26-20)15-30-25(19(7)8)13-23(28-30)17(3)4;1-16(22-18-10-5-3-6-11-18)20-14-9-15-21(24-20)17(2)23-19-12-7-4-8-13-19;1-3-8-16(9-4-1)20-14-18-12-7-13-19(22-18)15-21-17-10-5-2-6-11-17;1-10-6-11(2)27(25-10)8-12-4-3-5-13(24-12)9-28-15(17(21,22)23)7-14(26-28)16(18,19)20;1-12-8-14(3)21(19-12)10-16-6-5-7-17(18-16)11-22-15(4)9-13(2)20-22;1-10-16-12(3)21(19-10)8-14-6-5-7-15(18-14)9-22-13(4)17-11(2)20-22;1-11-9-13(3)17(15-11)5-7-19-8-6-18-14(4)10-12(2)16-18;1-3-11-13(5-1)7-9-15-10-8-14-6-2-4-12-14/h9-13,16-19H,14-15H2,1-8H3;3-15H,1-2H3;1-15H;3-7H,8-9H2,1-2H3;5-9H,10-11H2,1-4H3;5-7H,8-9H2,1-4H3;9-10H,5-8H2,1-4H3;1-6H,7-10H2/b;22-16+,23-17+;20-14+,21-15+;;;;;
InChIKeyKHGSGULFZNHJSY-VLDNGDDCSA-N
MW2471.05 g/mol
LogP27.46
Rot. Bonds40

About 2,6-bis[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;2,6-bis[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyridine;2,6-bis[[3,5-di(propan-2-yl)pyrazol-1-yl]methyl]pyridine;2-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-6-[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;1-[2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]ethyl]-3,5-dimethylpyrazole;1-[6-(C-methyl-N-phenylcarbonimidoyl)-2-pyridinyl]-N-phenylethanimine;N-phenyl-1-[6-(phenyliminomethyl)-2-pyridinyl]methanimine;1-[2-(2-pyrazol-1-ylethoxy)ethyl]pyrazole

2,6-bis[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;2,6-bis[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyridine;2,6-bis[[3,5-di(propan-2-yl)pyrazol-1-yl]methyl]pyridine;2-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-6-[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;1-[2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]ethyl]-3,5-dimethylpyrazole;1-[6-(C-methyl-N-phenylcarbonimidoyl)-2-pyridinyl]-N-phenylethanimine;N-phenyl-1-[6-(phenyliminomethyl)-2-pyridinyl]methanimine;1-[2-(2-pyrazol-1-ylethoxy)ethyl]pyrazole (PubChem CID 159134195) has the molecular formula C138H162F6N36O2 and a molecular weight of 2471.05 g/mol. Its IUPAC name is 2,6-bis[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;2,6-bis[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyridine;2,6-bis[[3,5-di(propan-2-yl)pyrazol-1-yl]methyl]pyridine;2-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-6-[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;1-[2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]ethyl]-3,5-dimethylpyrazole;1-[6-(C-methyl-N-phenylcarbonimidoyl)-2-pyridinyl]-N-phenylethanimine;N-phenyl-1-[6-(phenyliminomethyl)-2-pyridinyl]methanimine;1-[2-(2-pyrazol-1-ylethoxy)ethyl]pyrazole.

Molecular Properties

Compound Name2,6-bis[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;2,6-bis[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyridine;2,6-bis[[3,5-di(propan-2-yl)pyrazol-1-yl]methyl]pyridine;2-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-6-[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;1-[2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]ethyl]-3,5-dimethylpyrazole;1-[6-(C-methyl-N-phenylcarbonimidoyl)-2-pyridinyl]-N-phenylethanimine;N-phenyl-1-[6-(phenyliminomethyl)-2-pyridinyl]methanimine;1-[2-(2-pyrazol-1-ylethoxy)ethyl]pyrazole
PubChem CID159134195
Molecular FormulaC138H162F6N36O2
Molecular Weight2471.05 g/mol
Exact Mass2469.36
IUPAC Name2,6-bis[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;2,6-bis[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyridine;2,6-bis[[3,5-di(propan-2-yl)pyrazol-1-yl]methyl]pyridine;2-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-6-[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;1-[2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]ethyl]-3,5-dimethylpyrazole;1-[6-(C-methyl-N-phenylcarbonimidoyl)-2-pyridinyl]-N-phenylethanimine;N-phenyl-1-[6-(phenyliminomethyl)-2-pyridinyl]methanimine;1-[2-(2-pyrazol-1-ylethoxy)ethyl]pyrazole
SMILESC(=N/c1ccccc1)\c1cccc(/C=N/c2ccccc2)n1.C/C(=N\c1ccccc1)c1cccc(/C(C)=N/c2ccccc2)n1.CC(C)c1cc(C(C)C)n(Cc2cccc(Cn3nc(C(C)C)cc3C(C)C)n2)n1.Cc1cc(C)n(CCOCCn2nc(C)cc2C)n1.Cc1cc(C)n(Cc2cccc(Cn3nc(C(F)(F)F)cc3C(F)(F)F)n2)n1.Cc1cc(C)n(Cc2cccc(Cn3nc(C)cc3C)n2)n1.Cc1nc(C)n(Cc2cccc(Cn3nc(C)nc3C)n2)n1.c1cnn(CCOCCn2cccn2)c1
InChIInChI=1S/C25H37N5.C21H19N3.C19H15N3.C17H15F6N5.C17H21N5.C15H19N7.C14H22N4O.C10H14N4O/c1-16(2)22-12-24(18(5)6)29(27-22)14-20-10-9-11-21(26-20)15-30-25(19(7)8)13-23(28-30)17(3)4;1-16(22-18-10-5-3-6-11-18)20-14-9-15-21(24-20)17(2)23-19-12-7-4-8-13-19;1-3-8-16(9-4-1)20-14-18-12-7-13-19(22-18)15-21-17-10-5-2-6-11-17;1-10-6-11(2)27(25-10)8-12-4-3-5-13(24-12)9-28-15(17(21,22)23)7-14(26-28)16(18,19)20;1-12-8-14(3)21(19-12)10-16-6-5-7-17(18-16)11-22-15(4)9-13(2)20-22;1-10-16-12(3)21(19-10)8-14-6-5-7-15(18-14)9-22-13(4)17-11(2)20-22;1-11-9-13(3)17(15-11)5-7-19-8-6-18-14(4)10-12(2)16-18;1-3-11-13(5-1)7-9-15-10-8-14-6-2-4-12-14/h9-13,16-19H,14-15H2,1-8H3;3-15H,1-2H3;1-15H;3-7H,8-9H2,1-2H3;5-9H,10-11H2,1-4H3;5-7H,8-9H2,1-4H3;9-10H,5-8H2,1-4H3;1-6H,7-10H2/b;22-16+,23-17+;20-14+,21-15+;;;;;
InChIKeyKHGSGULFZNHJSY-VLDNGDDCSA-N
XLogP27.46
TPSA384.86 Ų
H-Bond Donors
H-Bond Acceptors38
Rotatable Bonds40
Heavy Atoms182
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002471.05
LogP ≤ 527.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2,6-bis[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;2,6-bis[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyridine;2,6-bis[[3,5-di(propan-2-yl)pyrazol-1-yl]methyl]pyridine;2-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-6-[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;1-[2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]ethyl]-3,5-dimethylpyrazole;1-[6-(C-methyl-N-phenylcarbonimidoyl)-2-pyridinyl]-N-phenylethanimine;N-phenyl-1-[6-(phenyliminomethyl)-2-pyridinyl]methanimine;1-[2-(2-pyrazol-1-ylethoxy)ethyl]pyrazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;2,6-bis[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyridine;2,6-bis[[3,5-di(propan-2-yl)pyrazol-1-yl]methyl]pyridine;2-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-6-[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;1-[2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]ethyl]-3,5-dimethylpyrazole;1-[6-(C-methyl-N-phenylcarbonimidoyl)-2-pyridinyl]-N-phenylethanimine;N-phenyl-1-[6-(phenyliminomethyl)-2-pyridinyl]methanimine;1-[2-(2-pyrazol-1-ylethoxy)ethyl]pyrazole?
The IUPAC name of 2,6-bis[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;2,6-bis[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyridine;2,6-bis[[3,5-di(propan-2-yl)pyrazol-1-yl]methyl]pyridine;2-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-6-[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;1-[2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]ethyl]-3,5-dimethylpyrazole;1-[6-(C-methyl-N-phenylcarbonimidoyl)-2-pyridinyl]-N-phenylethanimine;N-phenyl-1-[6-(phenyliminomethyl)-2-pyridinyl]methanimine;1-[2-(2-pyrazol-1-ylethoxy)ethyl]pyrazole (CID 159134195) is 2,6-bis[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;2,6-bis[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyridine;2,6-bis[[3,5-di(propan-2-yl)pyrazol-1-yl]methyl]pyridine;2-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-6-[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;1-[2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]ethyl]-3,5-dimethylpyrazole;1-[6-(C-methyl-N-phenylcarbonimidoyl)-2-pyridinyl]-N-phenylethanimine;N-phenyl-1-[6-(phenyliminomethyl)-2-pyridinyl]methanimine;1-[2-(2-pyrazol-1-ylethoxy)ethyl]pyrazole.
What is the SMILES notation for 2,6-bis[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;2,6-bis[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyridine;2,6-bis[[3,5-di(propan-2-yl)pyrazol-1-yl]methyl]pyridine;2-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-6-[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;1-[2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]ethyl]-3,5-dimethylpyrazole;1-[6-(C-methyl-N-phenylcarbonimidoyl)-2-pyridinyl]-N-phenylethanimine;N-phenyl-1-[6-(phenyliminomethyl)-2-pyridinyl]methanimine;1-[2-(2-pyrazol-1-ylethoxy)ethyl]pyrazole?
The canonical SMILES for 2,6-bis[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;2,6-bis[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyridine;2,6-bis[[3,5-di(propan-2-yl)pyrazol-1-yl]methyl]pyridine;2-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-6-[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;1-[2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]ethyl]-3,5-dimethylpyrazole;1-[6-(C-methyl-N-phenylcarbonimidoyl)-2-pyridinyl]-N-phenylethanimine;N-phenyl-1-[6-(phenyliminomethyl)-2-pyridinyl]methanimine;1-[2-(2-pyrazol-1-ylethoxy)ethyl]pyrazole is C(=N/c1ccccc1)\c1cccc(/C=N/c2ccccc2)n1.C/C(=N\c1ccccc1)c1cccc(/C(C)=N/c2ccccc2)n1.CC(C)c1cc(C(C)C)n(Cc2cccc(Cn3nc(C(C)C)cc3C(C)C)n2)n1.Cc1cc(C)n(CCOCCn2nc(C)cc2C)n1.Cc1cc(C)n(Cc2cccc(Cn3nc(C(F)(F)F)cc3C(F)(F)F)n2)n1.Cc1cc(C)n(Cc2cccc(Cn3nc(C)cc3C)n2)n1.Cc1nc(C)n(Cc2cccc(Cn3nc(C)nc3C)n2)n1.c1cnn(CCOCCn2cccn2)c1.
What is the InChIKey of 2,6-bis[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;2,6-bis[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyridine;2,6-bis[[3,5-di(propan-2-yl)pyrazol-1-yl]methyl]pyridine;2-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-6-[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;1-[2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]ethyl]-3,5-dimethylpyrazole;1-[6-(C-methyl-N-phenylcarbonimidoyl)-2-pyridinyl]-N-phenylethanimine;N-phenyl-1-[6-(phenyliminomethyl)-2-pyridinyl]methanimine;1-[2-(2-pyrazol-1-ylethoxy)ethyl]pyrazole?
The InChIKey is KHGSGULFZNHJSY-VLDNGDDCSA-N. The full InChI is InChI=1S/C25H37N5.C21H19N3.C19H15N3.C17H15F6N5.C17H21N5.C15H19N7.C14H22N4O.C10H14N4O/c1-16(2)22-12-24(18(5)6)29(27-22)14-20-10-9-11-21(26-20)15-30-25(19(7)8)13-23(28-30)17(3)4;1-16(22-18-10-5-3-6-11-18)20-14-9-15-21(24-20)17(2)23-19-12-7-4-8-13-19;1-3-8-16(9-4-1)20-14-18-12-7-13-19(22-18)15-21-17-10-5-2-6-11-17;1-10-6-11(2)27(25-10)8-12-4-3-5-13(24-12)9-28-15(17(21,22)23)7-14(26-28)16(18,19)20;1-12-8-14(3)21(19-12)10-16-6-5-7-17(18-16)11-22-15(4)9-13(2)20-22;1-10-16-12(3)21(19-10)8-14-6-5-7-15(18-14)9-22-13(4)17-11(2)20-22;1-11-9-13(3)17(15-11)5-7-19-8-6-18-14(4)10-12(2)16-18;1-3-11-13(5-1)7-9-15-10-8-14-6-2-4-12-14/h9-13,16-19H,14-15H2,1-8H3;3-15H,1-2H3;1-15H;3-7H,8-9H2,1-2H3;5-9H,10-11H2,1-4H3;5-7H,8-9H2,1-4H3;9-10H,5-8H2,1-4H3;1-6H,7-10H2/b;22-16+,23-17+;20-14+,21-15+;;;;;.
What are the key properties of 2,6-bis[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;2,6-bis[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyridine;2,6-bis[[3,5-di(propan-2-yl)pyrazol-1-yl]methyl]pyridine;2-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-6-[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;1-[2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]ethyl]-3,5-dimethylpyrazole;1-[6-(C-methyl-N-phenylcarbonimidoyl)-2-pyridinyl]-N-phenylethanimine;N-phenyl-1-[6-(phenyliminomethyl)-2-pyridinyl]methanimine;1-[2-(2-pyrazol-1-ylethoxy)ethyl]pyrazole?
2,6-bis[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;2,6-bis[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyridine;2,6-bis[[3,5-di(propan-2-yl)pyrazol-1-yl]methyl]pyridine;2-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-6-[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;1-[2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]ethyl]-3,5-dimethylpyrazole;1-[6-(C-methyl-N-phenylcarbonimidoyl)-2-pyridinyl]-N-phenylethanimine;N-phenyl-1-[6-(phenyliminomethyl)-2-pyridinyl]methanimine;1-[2-(2-pyrazol-1-ylethoxy)ethyl]pyrazole has a molecular weight of 2471.05 g/mol, XLogP of 27.46, 40 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;2,6-bis[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyridine;2,6-bis[[3,5-di(propan-2-yl)pyrazol-1-yl]methyl]pyridine;2-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-6-[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;1-[2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]ethyl]-3,5-dimethylpyrazole;1-[6-(C-methyl-N-phenylcarbonimidoyl)-2-pyridinyl]-N-phenylethanimine;N-phenyl-1-[6-(phenyliminomethyl)-2-pyridinyl]methanimine;1-[2-(2-pyrazol-1-ylethoxy)ethyl]pyrazole is sourced from PubChem (CID 159134195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).