methyl 3-(3,5-difluoro-2-methylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 3-[4-(dimethylamino)-2-methylphenyl]-4-methylpyrazin-4-ium-2-carboxylate;methyl 3-(2,4-dimethylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 3-(4-fluoro-2-methylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 3-(4-methoxy-2-methylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-[2-methyl-4-(N-phenylanilino)phenyl]pyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-(2-methyl-4-phenylphenyl)pyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-(2-methyl-5-phenylphenyl)pyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-(2-methylphenyl)pyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]pyrazin-4-ium-2-carboxylate

C169H172F6N22O21+10 — CID 158591987

IUPACmethyl 3-(3,5-difluoro-2-methylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 3-[4-(dimethylamino)-2-methylphenyl]-4-methylpyrazin-4-ium-2-carboxylate;methyl 3-(2,4-dimethylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 3-(4-fluoro-2-methylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 3-(4-methoxy-2-methylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-[2-methyl-4-(N-phenylanilino)phenyl]pyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-(2-methyl-4-phenylphenyl)pyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-(2-methyl-5-phenylphenyl)pyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-(2-methylphenyl)pyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]pyrazin-4-ium-2-carboxylate
SMILESCOC(=O)c1ncc[n+](C)c1-c1cc(-c2ccccc2)ccc1C.COC(=O)c1ncc[n+](C)c1-c1cc(F)cc(F)c1C.COC(=O)c1ncc[n+](C)c1-c1ccc(-c2ccccc2)cc1C.COC(=O)c1ncc[n+](C)c1-c1ccc(C(F)(F)F)cc1C.COC(=O)c1ncc[n+](C)c1-c1ccc(C)cc1C.COC(=O)c1ncc[n+](C)c1-c1ccc(F)cc1C.COC(=O)c1ncc[n+](C)c1-c1ccc(N(C)C)cc1C.COC(=O)c1ncc[n+](C)c1-c1ccc(N(c2ccccc2)c2ccccc2)cc1C.COC(=O)c1ncc[n+](C)c1-c1ccc(OC)cc1C.COC(=O)c1ncc[n+](C)c1-c1ccccc1C
InChIInChI=1S/C26H24N3O2.2C20H19N2O2.C16H20N3O2.C15H14F3N2O2.C15H17N2O3.C15H17N2O2.C14H13F2N2O2.C14H14FN2O2.C14H15N2O2/c1-19-18-22(29(20-10-6-4-7-11-20)21-12-8-5-9-13-21)14-15-23(19)25-24(26(30)31-3)27-16-17-28(25)2;1-14-13-16(15-7-5-4-6-8-15)9-10-17(14)19-18(20(23)24-3)21-11-12-22(19)2;1-14-9-10-16(15-7-5-4-6-8-15)13-17(14)19-18(20(23)24-3)21-11-12-22(19)2;1-11-10-12(18(2)3)6-7-13(11)15-14(16(20)21-5)17-8-9-19(15)4;1-9-8-10(15(16,17)18)4-5-11(9)13-12(14(21)22-3)19-6-7-20(13)2;1-10-9-11(19-3)5-6-12(10)14-13(15(18)20-4)16-7-8-17(14)2;1-10-5-6-12(11(2)9-10)14-13(15(18)19-4)16-7-8-17(14)3;1-8-10(6-9(15)7-11(8)16)13-12(14(19)20-3)17-4-5-18(13)2;1-9-8-10(15)4-5-11(9)13-12(14(18)19-3)16-6-7-17(13)2;1-10-6-4-5-7-11(10)13-12(14(17)18-3)15-8-9-16(13)2/h4-18H,1-3H3;2*4-13H,1-3H3;6-10H,1-5H3;4-8H,1-3H3;5-9H,1-4H3;5-9H,1-4H3;4-7H,1-3H3;4-8H,1-3H3;4-9H,1-3H3/q10*+1
InChIKeyCQDBEPWAYWKJIP-UHFFFAOYSA-N
MW2961.36 g/mol
LogP25.30
Rot. Bonds27

About methyl 3-(3,5-difluoro-2-methylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 3-[4-(dimethylamino)-2-methylphenyl]-4-methylpyrazin-4-ium-2-carboxylate;methyl 3-(2,4-dimethylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 3-(4-fluoro-2-methylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 3-(4-methoxy-2-methylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-[2-methyl-4-(N-phenylanilino)phenyl]pyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-(2-methyl-4-phenylphenyl)pyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-(2-methyl-5-phenylphenyl)pyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-(2-methylphenyl)pyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]pyrazin-4-ium-2-carboxylate

methyl 3-(3,5-difluoro-2-methylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 3-[4-(dimethylamino)-2-methylphenyl]-4-methylpyrazin-4-ium-2-carboxylate;methyl 3-(2,4-dimethylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 3-(4-fluoro-2-methylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 3-(4-methoxy-2-methylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-[2-methyl-4-(N-phenylanilino)phenyl]pyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-(2-methyl-4-phenylphenyl)pyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-(2-methyl-5-phenylphenyl)pyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-(2-methylphenyl)pyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]pyrazin-4-ium-2-carboxylate (PubChem CID 158591987) has the molecular formula C169H172F6N22O21+10 and a molecular weight of 2961.36 g/mol. Its IUPAC name is methyl 3-(3,5-difluoro-2-methylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 3-[4-(dimethylamino)-2-methylphenyl]-4-methylpyrazin-4-ium-2-carboxylate;methyl 3-(2,4-dimethylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 3-(4-fluoro-2-methylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 3-(4-methoxy-2-methylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-[2-methyl-4-(N-phenylanilino)phenyl]pyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-(2-methyl-4-phenylphenyl)pyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-(2-methyl-5-phenylphenyl)pyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-(2-methylphenyl)pyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]pyrazin-4-ium-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(3,5-difluoro-2-methylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 3-[4-(dimethylamino)-2-methylphenyl]-4-methylpyrazin-4-ium-2-carboxylate;methyl 3-(2,4-dimethylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 3-(4-fluoro-2-methylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 3-(4-methoxy-2-methylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-[2-methyl-4-(N-phenylanilino)phenyl]pyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-(2-methyl-4-phenylphenyl)pyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-(2-methyl-5-phenylphenyl)pyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-(2-methylphenyl)pyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]pyrazin-4-ium-2-carboxylate
PubChem CID158591987
Molecular FormulaC169H172F6N22O21+10
Molecular Weight2961.36 g/mol
Exact Mass2959.29
IUPAC Namemethyl 3-(3,5-difluoro-2-methylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 3-[4-(dimethylamino)-2-methylphenyl]-4-methylpyrazin-4-ium-2-carboxylate;methyl 3-(2,4-dimethylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 3-(4-fluoro-2-methylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 3-(4-methoxy-2-methylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-[2-methyl-4-(N-phenylanilino)phenyl]pyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-(2-methyl-4-phenylphenyl)pyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-(2-methyl-5-phenylphenyl)pyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-(2-methylphenyl)pyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]pyrazin-4-ium-2-carboxylate
SMILESCOC(=O)c1ncc[n+](C)c1-c1cc(-c2ccccc2)ccc1C.COC(=O)c1ncc[n+](C)c1-c1cc(F)cc(F)c1C.COC(=O)c1ncc[n+](C)c1-c1ccc(-c2ccccc2)cc1C.COC(=O)c1ncc[n+](C)c1-c1ccc(C(F)(F)F)cc1C.COC(=O)c1ncc[n+](C)c1-c1ccc(C)cc1C.COC(=O)c1ncc[n+](C)c1-c1ccc(F)cc1C.COC(=O)c1ncc[n+](C)c1-c1ccc(N(C)C)cc1C.COC(=O)c1ncc[n+](C)c1-c1ccc(N(c2ccccc2)c2ccccc2)cc1C.COC(=O)c1ncc[n+](C)c1-c1ccc(OC)cc1C.COC(=O)c1ncc[n+](C)c1-c1ccccc1C
InChIInChI=1S/C26H24N3O2.2C20H19N2O2.C16H20N3O2.C15H14F3N2O2.C15H17N2O3.C15H17N2O2.C14H13F2N2O2.C14H14FN2O2.C14H15N2O2/c1-19-18-22(29(20-10-6-4-7-11-20)21-12-8-5-9-13-21)14-15-23(19)25-24(26(30)31-3)27-16-17-28(25)2;1-14-13-16(15-7-5-4-6-8-15)9-10-17(14)19-18(20(23)24-3)21-11-12-22(19)2;1-14-9-10-16(15-7-5-4-6-8-15)13-17(14)19-18(20(23)24-3)21-11-12-22(19)2;1-11-10-12(18(2)3)6-7-13(11)15-14(16(20)21-5)17-8-9-19(15)4;1-9-8-10(15(16,17)18)4-5-11(9)13-12(14(21)22-3)19-6-7-20(13)2;1-10-9-11(19-3)5-6-12(10)14-13(15(18)20-4)16-7-8-17(14)2;1-10-5-6-12(11(2)9-10)14-13(15(18)19-4)16-7-8-17(14)3;1-8-10(6-9(15)7-11(8)16)13-12(14(19)20-3)17-4-5-18(13)2;1-9-8-10(15)4-5-11(9)13-12(14(18)19-3)16-6-7-17(13)2;1-10-6-4-5-7-11(10)13-12(14(17)18-3)15-8-9-16(13)2/h4-18H,1-3H3;2*4-13H,1-3H3;6-10H,1-5H3;4-8H,1-3H3;5-9H,1-4H3;5-9H,1-4H3;4-7H,1-3H3;4-8H,1-3H3;4-9H,1-3H3/q10*+1
InChIKeyCQDBEPWAYWKJIP-UHFFFAOYSA-N
XLogP25.30
TPSA446.41 Ų
H-Bond Donors
H-Bond Acceptors33
Rotatable Bonds27
Heavy Atoms218
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002961.36
LogP ≤ 525.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze methyl 3-(3,5-difluoro-2-methylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 3-[4-(dimethylamino)-2-methylphenyl]-4-methylpyrazin-4-ium-2-carboxylate;methyl 3-(2,4-dimethylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 3-(4-fluoro-2-methylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 3-(4-methoxy-2-methylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-[2-methyl-4-(N-phenylanilino)phenyl]pyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-(2-methyl-4-phenylphenyl)pyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-(2-methyl-5-phenylphenyl)pyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-(2-methylphenyl)pyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]pyrazin-4-ium-2-carboxylate with MolForge

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Related Compounds

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CID 164999306

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3,5-difluoro-2-methylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 3-[4-(dimethylamino)-2-methylphenyl]-4-methylpyrazin-4-ium-2-carboxylate;methyl 3-(2,4-dimethylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 3-(4-fluoro-2-methylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 3-(4-methoxy-2-methylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-[2-methyl-4-(N-phenylanilino)phenyl]pyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-(2-methyl-4-phenylphenyl)pyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-(2-methyl-5-phenylphenyl)pyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-(2-methylphenyl)pyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]pyrazin-4-ium-2-carboxylate?
The IUPAC name of methyl 3-(3,5-difluoro-2-methylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 3-[4-(dimethylamino)-2-methylphenyl]-4-methylpyrazin-4-ium-2-carboxylate;methyl 3-(2,4-dimethylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 3-(4-fluoro-2-methylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 3-(4-methoxy-2-methylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-[2-methyl-4-(N-phenylanilino)phenyl]pyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-(2-methyl-4-phenylphenyl)pyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-(2-methyl-5-phenylphenyl)pyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-(2-methylphenyl)pyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]pyrazin-4-ium-2-carboxylate (CID 158591987) is methyl 3-(3,5-difluoro-2-methylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 3-[4-(dimethylamino)-2-methylphenyl]-4-methylpyrazin-4-ium-2-carboxylate;methyl 3-(2,4-dimethylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 3-(4-fluoro-2-methylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 3-(4-methoxy-2-methylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-[2-methyl-4-(N-phenylanilino)phenyl]pyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-(2-methyl-4-phenylphenyl)pyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-(2-methyl-5-phenylphenyl)pyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-(2-methylphenyl)pyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]pyrazin-4-ium-2-carboxylate.
What is the SMILES notation for methyl 3-(3,5-difluoro-2-methylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 3-[4-(dimethylamino)-2-methylphenyl]-4-methylpyrazin-4-ium-2-carboxylate;methyl 3-(2,4-dimethylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 3-(4-fluoro-2-methylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 3-(4-methoxy-2-methylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-[2-methyl-4-(N-phenylanilino)phenyl]pyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-(2-methyl-4-phenylphenyl)pyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-(2-methyl-5-phenylphenyl)pyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-(2-methylphenyl)pyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]pyrazin-4-ium-2-carboxylate?
The canonical SMILES for methyl 3-(3,5-difluoro-2-methylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 3-[4-(dimethylamino)-2-methylphenyl]-4-methylpyrazin-4-ium-2-carboxylate;methyl 3-(2,4-dimethylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 3-(4-fluoro-2-methylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 3-(4-methoxy-2-methylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-[2-methyl-4-(N-phenylanilino)phenyl]pyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-(2-methyl-4-phenylphenyl)pyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-(2-methyl-5-phenylphenyl)pyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-(2-methylphenyl)pyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]pyrazin-4-ium-2-carboxylate is COC(=O)c1ncc[n+](C)c1-c1cc(-c2ccccc2)ccc1C.COC(=O)c1ncc[n+](C)c1-c1cc(F)cc(F)c1C.COC(=O)c1ncc[n+](C)c1-c1ccc(-c2ccccc2)cc1C.COC(=O)c1ncc[n+](C)c1-c1ccc(C(F)(F)F)cc1C.COC(=O)c1ncc[n+](C)c1-c1ccc(C)cc1C.COC(=O)c1ncc[n+](C)c1-c1ccc(F)cc1C.COC(=O)c1ncc[n+](C)c1-c1ccc(N(C)C)cc1C.COC(=O)c1ncc[n+](C)c1-c1ccc(N(c2ccccc2)c2ccccc2)cc1C.COC(=O)c1ncc[n+](C)c1-c1ccc(OC)cc1C.COC(=O)c1ncc[n+](C)c1-c1ccccc1C.
What is the InChIKey of methyl 3-(3,5-difluoro-2-methylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 3-[4-(dimethylamino)-2-methylphenyl]-4-methylpyrazin-4-ium-2-carboxylate;methyl 3-(2,4-dimethylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 3-(4-fluoro-2-methylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 3-(4-methoxy-2-methylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-[2-methyl-4-(N-phenylanilino)phenyl]pyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-(2-methyl-4-phenylphenyl)pyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-(2-methyl-5-phenylphenyl)pyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-(2-methylphenyl)pyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]pyrazin-4-ium-2-carboxylate?
The InChIKey is CQDBEPWAYWKJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N3O2.2C20H19N2O2.C16H20N3O2.C15H14F3N2O2.C15H17N2O3.C15H17N2O2.C14H13F2N2O2.C14H14FN2O2.C14H15N2O2/c1-19-18-22(29(20-10-6-4-7-11-20)21-12-8-5-9-13-21)14-15-23(19)25-24(26(30)31-3)27-16-17-28(25)2;1-14-13-16(15-7-5-4-6-8-15)9-10-17(14)19-18(20(23)24-3)21-11-12-22(19)2;1-14-9-10-16(15-7-5-4-6-8-15)13-17(14)19-18(20(23)24-3)21-11-12-22(19)2;1-11-10-12(18(2)3)6-7-13(11)15-14(16(20)21-5)17-8-9-19(15)4;1-9-8-10(15(16,17)18)4-5-11(9)13-12(14(21)22-3)19-6-7-20(13)2;1-10-9-11(19-3)5-6-12(10)14-13(15(18)20-4)16-7-8-17(14)2;1-10-5-6-12(11(2)9-10)14-13(15(18)19-4)16-7-8-17(14)3;1-8-10(6-9(15)7-11(8)16)13-12(14(19)20-3)17-4-5-18(13)2;1-9-8-10(15)4-5-11(9)13-12(14(18)19-3)16-6-7-17(13)2;1-10-6-4-5-7-11(10)13-12(14(17)18-3)15-8-9-16(13)2/h4-18H,1-3H3;2*4-13H,1-3H3;6-10H,1-5H3;4-8H,1-3H3;5-9H,1-4H3;5-9H,1-4H3;4-7H,1-3H3;4-8H,1-3H3;4-9H,1-3H3/q10*+1.
What are the key properties of methyl 3-(3,5-difluoro-2-methylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 3-[4-(dimethylamino)-2-methylphenyl]-4-methylpyrazin-4-ium-2-carboxylate;methyl 3-(2,4-dimethylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 3-(4-fluoro-2-methylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 3-(4-methoxy-2-methylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-[2-methyl-4-(N-phenylanilino)phenyl]pyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-(2-methyl-4-phenylphenyl)pyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-(2-methyl-5-phenylphenyl)pyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-(2-methylphenyl)pyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]pyrazin-4-ium-2-carboxylate?
methyl 3-(3,5-difluoro-2-methylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 3-[4-(dimethylamino)-2-methylphenyl]-4-methylpyrazin-4-ium-2-carboxylate;methyl 3-(2,4-dimethylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 3-(4-fluoro-2-methylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 3-(4-methoxy-2-methylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-[2-methyl-4-(N-phenylanilino)phenyl]pyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-(2-methyl-4-phenylphenyl)pyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-(2-methyl-5-phenylphenyl)pyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-(2-methylphenyl)pyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]pyrazin-4-ium-2-carboxylate has a molecular weight of 2961.36 g/mol, XLogP of 25.30, 27 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3,5-difluoro-2-methylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 3-[4-(dimethylamino)-2-methylphenyl]-4-methylpyrazin-4-ium-2-carboxylate;methyl 3-(2,4-dimethylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 3-(4-fluoro-2-methylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 3-(4-methoxy-2-methylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-[2-methyl-4-(N-phenylanilino)phenyl]pyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-(2-methyl-4-phenylphenyl)pyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-(2-methyl-5-phenylphenyl)pyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-(2-methylphenyl)pyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]pyrazin-4-ium-2-carboxylate is sourced from PubChem (CID 158591987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).