1-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-(4-ethanimidoylphenyl)propan-1-one;1-(1-benzyl-2,5-dimethylpyrrol-3-yl)-3-(4-ethanimidoylphenyl)propan-1-one;1-[5-chloro-1-[(2,6-dichlorophenyl)methyl]-3-methylpyrazol-4-yl]-3-(4-ethanimidoylphenyl)propan-1-one;1-[5-chloro-1-[(4-fluorophenyl)methyl]-3-methylpyrazol-4-yl]-3-(4-ethanimidoylphenyl)propan-1-one;1-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(4-ethanimidoylphenyl)propan-1-one;1-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3-(4-ethanimidoylphenyl)propan-1-one;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-3-(4-ethanimidoylphenyl)propan-1-one;3-(4-ethanimidoylphenyl)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)propan-1-one

C177H184Cl6FN21O8 — CID 161399025

IUPAC1-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-(4-ethanimidoylphenyl)propan-1-one;1-(1-benzyl-2,5-dimethylpyrrol-3-yl)-3-(4-ethanimidoylphenyl)propan-1-one;1-[5-chloro-1-[(2,6-dichlorophenyl)methyl]-3-methylpyrazol-4-yl]-3-(4-ethanimidoylphenyl)propan-1-one;1-[5-chloro-1-[(4-fluorophenyl)methyl]-3-methylpyrazol-4-yl]-3-(4-ethanimidoylphenyl)propan-1-one;1-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(4-ethanimidoylphenyl)propan-1-one;1-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3-(4-ethanimidoylphenyl)propan-1-one;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-3-(4-ethanimidoylphenyl)propan-1-one;3-(4-ethanimidoylphenyl)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)propan-1-one
SMILES[H]/N=C(\C)c1ccc(CCC(=O)c2c(C)nn(Cc3c(Cl)cccc3Cl)c2Cl)cc1.[H]/N=C(\C)c1ccc(CCC(=O)c2c(C)nn(Cc3ccc(F)cc3)c2Cl)cc1.[H]/N=C(\C)c1ccc(CCC(=O)c2c(C)nn(Cc3ccccc3)c2C)cc1.[H]/N=C(\C)c1ccc(CCC(=O)c2c(C)nn(Cc3ccccc3Cl)c2C)cc1.[H]/N=C(\C)c1ccc(CCC(=O)c2cc(C)n(-c3ccccc3)c2C)cc1.[H]/N=C(\C)c1ccc(CCC(=O)c2cc(C)n(CC)c2C)cc1.[H]/N=C(\C)c1ccc(CCC(=O)c2cc(C)n(Cc3ccccc3)c2C)cc1.[H]/N=C(\C)c1ccc(CCC(=O)c2cnn(Cc3ccccc3Cl)c2)cc1
InChIInChI=1S/C24H26N2O.C23H24ClN3O.C23H25N3O.C23H24N2O.C22H20Cl3N3O.C22H21ClFN3O.C21H20ClN3O.C19H24N2O/c1-17-15-23(19(3)26(17)16-21-7-5-4-6-8-21)24(27)14-11-20-9-12-22(13-10-20)18(2)25;1-15(25)19-11-8-18(9-12-19)10-13-22(28)23-16(2)26-27(17(23)3)14-20-6-4-5-7-21(20)24;1-16(24)21-12-9-19(10-13-21)11-14-22(27)23-17(2)25-26(18(23)3)15-20-7-5-4-6-8-20;1-16-15-22(18(3)25(16)21-7-5-4-6-8-21)23(26)14-11-19-9-12-20(13-10-19)17(2)24;1-13(26)16-9-6-15(7-10-16)8-11-20(29)21-14(2)27-28(22(21)25)12-17-18(23)4-3-5-19(17)24;1-14(25)18-8-3-16(4-9-18)7-12-20(28)21-15(2)26-27(22(21)23)13-17-5-10-19(24)11-6-17;1-15(23)17-9-6-16(7-10-17)8-11-21(26)19-12-24-25(14-19)13-18-4-2-3-5-20(18)22;1-5-21-13(2)12-18(15(21)4)19(22)11-8-16-6-9-17(10-7-16)14(3)20/h4-10,12-13,15,25H,11,14,16H2,1-3H3;4-9,11-12,25H,10,13-14H2,1-3H3;4-10,12-13,24H,11,14-15H2,1-3H3;4-10,12-13,15,24H,11,14H2,1-3H3;3-7,9-10,26H,8,11-12H2,1-2H3;3-6,8-11,25H,7,12-13H2,1-2H3;2-7,9-10,12,14,23H,8,11,13H2,1H3;6-7,9-10,12,20H,5,8,11H2,1-4H3/b25-18+;25-15+;24-16+;24-17+;26-13+;25-14+;23-15+;20-14+
InChIKeyVTZJJHNFLOKBFG-HFOBIGOISA-N
MW2965.27 g/mol
LogP41.57
Rot. Bonds54

About 1-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-(4-ethanimidoylphenyl)propan-1-one;1-(1-benzyl-2,5-dimethylpyrrol-3-yl)-3-(4-ethanimidoylphenyl)propan-1-one;1-[5-chloro-1-[(2,6-dichlorophenyl)methyl]-3-methylpyrazol-4-yl]-3-(4-ethanimidoylphenyl)propan-1-one;1-[5-chloro-1-[(4-fluorophenyl)methyl]-3-methylpyrazol-4-yl]-3-(4-ethanimidoylphenyl)propan-1-one;1-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(4-ethanimidoylphenyl)propan-1-one;1-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3-(4-ethanimidoylphenyl)propan-1-one;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-3-(4-ethanimidoylphenyl)propan-1-one;3-(4-ethanimidoylphenyl)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)propan-1-one

1-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-(4-ethanimidoylphenyl)propan-1-one;1-(1-benzyl-2,5-dimethylpyrrol-3-yl)-3-(4-ethanimidoylphenyl)propan-1-one;1-[5-chloro-1-[(2,6-dichlorophenyl)methyl]-3-methylpyrazol-4-yl]-3-(4-ethanimidoylphenyl)propan-1-one;1-[5-chloro-1-[(4-fluorophenyl)methyl]-3-methylpyrazol-4-yl]-3-(4-ethanimidoylphenyl)propan-1-one;1-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(4-ethanimidoylphenyl)propan-1-one;1-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3-(4-ethanimidoylphenyl)propan-1-one;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-3-(4-ethanimidoylphenyl)propan-1-one;3-(4-ethanimidoylphenyl)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)propan-1-one (PubChem CID 161399025) has the molecular formula C177H184Cl6FN21O8 and a molecular weight of 2965.27 g/mol. Its IUPAC name is 1-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-(4-ethanimidoylphenyl)propan-1-one;1-(1-benzyl-2,5-dimethylpyrrol-3-yl)-3-(4-ethanimidoylphenyl)propan-1-one;1-[5-chloro-1-[(2,6-dichlorophenyl)methyl]-3-methylpyrazol-4-yl]-3-(4-ethanimidoylphenyl)propan-1-one;1-[5-chloro-1-[(4-fluorophenyl)methyl]-3-methylpyrazol-4-yl]-3-(4-ethanimidoylphenyl)propan-1-one;1-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(4-ethanimidoylphenyl)propan-1-one;1-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3-(4-ethanimidoylphenyl)propan-1-one;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-3-(4-ethanimidoylphenyl)propan-1-one;3-(4-ethanimidoylphenyl)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)propan-1-one.

Molecular Properties

Compound Name1-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-(4-ethanimidoylphenyl)propan-1-one;1-(1-benzyl-2,5-dimethylpyrrol-3-yl)-3-(4-ethanimidoylphenyl)propan-1-one;1-[5-chloro-1-[(2,6-dichlorophenyl)methyl]-3-methylpyrazol-4-yl]-3-(4-ethanimidoylphenyl)propan-1-one;1-[5-chloro-1-[(4-fluorophenyl)methyl]-3-methylpyrazol-4-yl]-3-(4-ethanimidoylphenyl)propan-1-one;1-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(4-ethanimidoylphenyl)propan-1-one;1-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3-(4-ethanimidoylphenyl)propan-1-one;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-3-(4-ethanimidoylphenyl)propan-1-one;3-(4-ethanimidoylphenyl)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)propan-1-one
PubChem CID161399025
Molecular FormulaC177H184Cl6FN21O8
Molecular Weight2965.27 g/mol
Exact Mass2960.28
IUPAC Name1-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-(4-ethanimidoylphenyl)propan-1-one;1-(1-benzyl-2,5-dimethylpyrrol-3-yl)-3-(4-ethanimidoylphenyl)propan-1-one;1-[5-chloro-1-[(2,6-dichlorophenyl)methyl]-3-methylpyrazol-4-yl]-3-(4-ethanimidoylphenyl)propan-1-one;1-[5-chloro-1-[(4-fluorophenyl)methyl]-3-methylpyrazol-4-yl]-3-(4-ethanimidoylphenyl)propan-1-one;1-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(4-ethanimidoylphenyl)propan-1-one;1-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3-(4-ethanimidoylphenyl)propan-1-one;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-3-(4-ethanimidoylphenyl)propan-1-one;3-(4-ethanimidoylphenyl)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)propan-1-one
SMILES[H]/N=C(\C)c1ccc(CCC(=O)c2c(C)nn(Cc3c(Cl)cccc3Cl)c2Cl)cc1.[H]/N=C(\C)c1ccc(CCC(=O)c2c(C)nn(Cc3ccc(F)cc3)c2Cl)cc1.[H]/N=C(\C)c1ccc(CCC(=O)c2c(C)nn(Cc3ccccc3)c2C)cc1.[H]/N=C(\C)c1ccc(CCC(=O)c2c(C)nn(Cc3ccccc3Cl)c2C)cc1.[H]/N=C(\C)c1ccc(CCC(=O)c2cc(C)n(-c3ccccc3)c2C)cc1.[H]/N=C(\C)c1ccc(CCC(=O)c2cc(C)n(CC)c2C)cc1.[H]/N=C(\C)c1ccc(CCC(=O)c2cc(C)n(Cc3ccccc3)c2C)cc1.[H]/N=C(\C)c1ccc(CCC(=O)c2cnn(Cc3ccccc3Cl)c2)cc1
InChIInChI=1S/C24H26N2O.C23H24ClN3O.C23H25N3O.C23H24N2O.C22H20Cl3N3O.C22H21ClFN3O.C21H20ClN3O.C19H24N2O/c1-17-15-23(19(3)26(17)16-21-7-5-4-6-8-21)24(27)14-11-20-9-12-22(13-10-20)18(2)25;1-15(25)19-11-8-18(9-12-19)10-13-22(28)23-16(2)26-27(17(23)3)14-20-6-4-5-7-21(20)24;1-16(24)21-12-9-19(10-13-21)11-14-22(27)23-17(2)25-26(18(23)3)15-20-7-5-4-6-8-20;1-16-15-22(18(3)25(16)21-7-5-4-6-8-21)23(26)14-11-19-9-12-20(13-10-19)17(2)24;1-13(26)16-9-6-15(7-10-16)8-11-20(29)21-14(2)27-28(22(21)25)12-17-18(23)4-3-5-19(17)24;1-14(25)18-8-3-16(4-9-18)7-12-20(28)21-15(2)26-27(22(21)23)13-17-5-10-19(24)11-6-17;1-15(23)17-9-6-16(7-10-17)8-11-21(26)19-12-24-25(14-19)13-18-4-2-3-5-20(18)22;1-5-21-13(2)12-18(15(21)4)19(22)11-8-16-6-9-17(10-7-16)14(3)20/h4-10,12-13,15,25H,11,14,16H2,1-3H3;4-9,11-12,25H,10,13-14H2,1-3H3;4-10,12-13,24H,11,14-15H2,1-3H3;4-10,12-13,15,24H,11,14H2,1-3H3;3-7,9-10,26H,8,11-12H2,1-2H3;3-6,8-11,25H,7,12-13H2,1-2H3;2-7,9-10,12,14,23H,8,11,13H2,1H3;6-7,9-10,12,20H,5,8,11H2,1-4H3/b25-18+;25-15+;24-16+;24-17+;26-13+;25-14+;23-15+;20-14+
InChIKeyVTZJJHNFLOKBFG-HFOBIGOISA-N
XLogP41.57
TPSA431.25 Ų
H-Bond Donors8
H-Bond Acceptors29
Rotatable Bonds54
Heavy Atoms213
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002965.27
LogP ≤ 541.57
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-(4-ethanimidoylphenyl)propan-1-one;1-(1-benzyl-2,5-dimethylpyrrol-3-yl)-3-(4-ethanimidoylphenyl)propan-1-one;1-[5-chloro-1-[(2,6-dichlorophenyl)methyl]-3-methylpyrazol-4-yl]-3-(4-ethanimidoylphenyl)propan-1-one;1-[5-chloro-1-[(4-fluorophenyl)methyl]-3-methylpyrazol-4-yl]-3-(4-ethanimidoylphenyl)propan-1-one;1-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(4-ethanimidoylphenyl)propan-1-one;1-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3-(4-ethanimidoylphenyl)propan-1-one;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-3-(4-ethanimidoylphenyl)propan-1-one;3-(4-ethanimidoylphenyl)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)propan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-(4-ethanimidoylphenyl)propan-1-one;1-(1-benzyl-2,5-dimethylpyrrol-3-yl)-3-(4-ethanimidoylphenyl)propan-1-one;1-[5-chloro-1-[(2,6-dichlorophenyl)methyl]-3-methylpyrazol-4-yl]-3-(4-ethanimidoylphenyl)propan-1-one;1-[5-chloro-1-[(4-fluorophenyl)methyl]-3-methylpyrazol-4-yl]-3-(4-ethanimidoylphenyl)propan-1-one;1-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(4-ethanimidoylphenyl)propan-1-one;1-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3-(4-ethanimidoylphenyl)propan-1-one;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-3-(4-ethanimidoylphenyl)propan-1-one;3-(4-ethanimidoylphenyl)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)propan-1-one?
The IUPAC name of 1-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-(4-ethanimidoylphenyl)propan-1-one;1-(1-benzyl-2,5-dimethylpyrrol-3-yl)-3-(4-ethanimidoylphenyl)propan-1-one;1-[5-chloro-1-[(2,6-dichlorophenyl)methyl]-3-methylpyrazol-4-yl]-3-(4-ethanimidoylphenyl)propan-1-one;1-[5-chloro-1-[(4-fluorophenyl)methyl]-3-methylpyrazol-4-yl]-3-(4-ethanimidoylphenyl)propan-1-one;1-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(4-ethanimidoylphenyl)propan-1-one;1-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3-(4-ethanimidoylphenyl)propan-1-one;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-3-(4-ethanimidoylphenyl)propan-1-one;3-(4-ethanimidoylphenyl)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)propan-1-one (CID 161399025) is 1-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-(4-ethanimidoylphenyl)propan-1-one;1-(1-benzyl-2,5-dimethylpyrrol-3-yl)-3-(4-ethanimidoylphenyl)propan-1-one;1-[5-chloro-1-[(2,6-dichlorophenyl)methyl]-3-methylpyrazol-4-yl]-3-(4-ethanimidoylphenyl)propan-1-one;1-[5-chloro-1-[(4-fluorophenyl)methyl]-3-methylpyrazol-4-yl]-3-(4-ethanimidoylphenyl)propan-1-one;1-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(4-ethanimidoylphenyl)propan-1-one;1-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3-(4-ethanimidoylphenyl)propan-1-one;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-3-(4-ethanimidoylphenyl)propan-1-one;3-(4-ethanimidoylphenyl)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)propan-1-one.
What is the SMILES notation for 1-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-(4-ethanimidoylphenyl)propan-1-one;1-(1-benzyl-2,5-dimethylpyrrol-3-yl)-3-(4-ethanimidoylphenyl)propan-1-one;1-[5-chloro-1-[(2,6-dichlorophenyl)methyl]-3-methylpyrazol-4-yl]-3-(4-ethanimidoylphenyl)propan-1-one;1-[5-chloro-1-[(4-fluorophenyl)methyl]-3-methylpyrazol-4-yl]-3-(4-ethanimidoylphenyl)propan-1-one;1-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(4-ethanimidoylphenyl)propan-1-one;1-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3-(4-ethanimidoylphenyl)propan-1-one;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-3-(4-ethanimidoylphenyl)propan-1-one;3-(4-ethanimidoylphenyl)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)propan-1-one?
The canonical SMILES for 1-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-(4-ethanimidoylphenyl)propan-1-one;1-(1-benzyl-2,5-dimethylpyrrol-3-yl)-3-(4-ethanimidoylphenyl)propan-1-one;1-[5-chloro-1-[(2,6-dichlorophenyl)methyl]-3-methylpyrazol-4-yl]-3-(4-ethanimidoylphenyl)propan-1-one;1-[5-chloro-1-[(4-fluorophenyl)methyl]-3-methylpyrazol-4-yl]-3-(4-ethanimidoylphenyl)propan-1-one;1-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(4-ethanimidoylphenyl)propan-1-one;1-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3-(4-ethanimidoylphenyl)propan-1-one;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-3-(4-ethanimidoylphenyl)propan-1-one;3-(4-ethanimidoylphenyl)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)propan-1-one is [H]/N=C(\C)c1ccc(CCC(=O)c2c(C)nn(Cc3c(Cl)cccc3Cl)c2Cl)cc1.[H]/N=C(\C)c1ccc(CCC(=O)c2c(C)nn(Cc3ccc(F)cc3)c2Cl)cc1.[H]/N=C(\C)c1ccc(CCC(=O)c2c(C)nn(Cc3ccccc3)c2C)cc1.[H]/N=C(\C)c1ccc(CCC(=O)c2c(C)nn(Cc3ccccc3Cl)c2C)cc1.[H]/N=C(\C)c1ccc(CCC(=O)c2cc(C)n(-c3ccccc3)c2C)cc1.[H]/N=C(\C)c1ccc(CCC(=O)c2cc(C)n(CC)c2C)cc1.[H]/N=C(\C)c1ccc(CCC(=O)c2cc(C)n(Cc3ccccc3)c2C)cc1.[H]/N=C(\C)c1ccc(CCC(=O)c2cnn(Cc3ccccc3Cl)c2)cc1.
What is the InChIKey of 1-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-(4-ethanimidoylphenyl)propan-1-one;1-(1-benzyl-2,5-dimethylpyrrol-3-yl)-3-(4-ethanimidoylphenyl)propan-1-one;1-[5-chloro-1-[(2,6-dichlorophenyl)methyl]-3-methylpyrazol-4-yl]-3-(4-ethanimidoylphenyl)propan-1-one;1-[5-chloro-1-[(4-fluorophenyl)methyl]-3-methylpyrazol-4-yl]-3-(4-ethanimidoylphenyl)propan-1-one;1-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(4-ethanimidoylphenyl)propan-1-one;1-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3-(4-ethanimidoylphenyl)propan-1-one;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-3-(4-ethanimidoylphenyl)propan-1-one;3-(4-ethanimidoylphenyl)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)propan-1-one?
The InChIKey is VTZJJHNFLOKBFG-HFOBIGOISA-N. The full InChI is InChI=1S/C24H26N2O.C23H24ClN3O.C23H25N3O.C23H24N2O.C22H20Cl3N3O.C22H21ClFN3O.C21H20ClN3O.C19H24N2O/c1-17-15-23(19(3)26(17)16-21-7-5-4-6-8-21)24(27)14-11-20-9-12-22(13-10-20)18(2)25;1-15(25)19-11-8-18(9-12-19)10-13-22(28)23-16(2)26-27(17(23)3)14-20-6-4-5-7-21(20)24;1-16(24)21-12-9-19(10-13-21)11-14-22(27)23-17(2)25-26(18(23)3)15-20-7-5-4-6-8-20;1-16-15-22(18(3)25(16)21-7-5-4-6-8-21)23(26)14-11-19-9-12-20(13-10-19)17(2)24;1-13(26)16-9-6-15(7-10-16)8-11-20(29)21-14(2)27-28(22(21)25)12-17-18(23)4-3-5-19(17)24;1-14(25)18-8-3-16(4-9-18)7-12-20(28)21-15(2)26-27(22(21)23)13-17-5-10-19(24)11-6-17;1-15(23)17-9-6-16(7-10-17)8-11-21(26)19-12-24-25(14-19)13-18-4-2-3-5-20(18)22;1-5-21-13(2)12-18(15(21)4)19(22)11-8-16-6-9-17(10-7-16)14(3)20/h4-10,12-13,15,25H,11,14,16H2,1-3H3;4-9,11-12,25H,10,13-14H2,1-3H3;4-10,12-13,24H,11,14-15H2,1-3H3;4-10,12-13,15,24H,11,14H2,1-3H3;3-7,9-10,26H,8,11-12H2,1-2H3;3-6,8-11,25H,7,12-13H2,1-2H3;2-7,9-10,12,14,23H,8,11,13H2,1H3;6-7,9-10,12,20H,5,8,11H2,1-4H3/b25-18+;25-15+;24-16+;24-17+;26-13+;25-14+;23-15+;20-14+.
What are the key properties of 1-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-(4-ethanimidoylphenyl)propan-1-one;1-(1-benzyl-2,5-dimethylpyrrol-3-yl)-3-(4-ethanimidoylphenyl)propan-1-one;1-[5-chloro-1-[(2,6-dichlorophenyl)methyl]-3-methylpyrazol-4-yl]-3-(4-ethanimidoylphenyl)propan-1-one;1-[5-chloro-1-[(4-fluorophenyl)methyl]-3-methylpyrazol-4-yl]-3-(4-ethanimidoylphenyl)propan-1-one;1-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(4-ethanimidoylphenyl)propan-1-one;1-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3-(4-ethanimidoylphenyl)propan-1-one;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-3-(4-ethanimidoylphenyl)propan-1-one;3-(4-ethanimidoylphenyl)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)propan-1-one?
1-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-(4-ethanimidoylphenyl)propan-1-one;1-(1-benzyl-2,5-dimethylpyrrol-3-yl)-3-(4-ethanimidoylphenyl)propan-1-one;1-[5-chloro-1-[(2,6-dichlorophenyl)methyl]-3-methylpyrazol-4-yl]-3-(4-ethanimidoylphenyl)propan-1-one;1-[5-chloro-1-[(4-fluorophenyl)methyl]-3-methylpyrazol-4-yl]-3-(4-ethanimidoylphenyl)propan-1-one;1-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(4-ethanimidoylphenyl)propan-1-one;1-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3-(4-ethanimidoylphenyl)propan-1-one;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-3-(4-ethanimidoylphenyl)propan-1-one;3-(4-ethanimidoylphenyl)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)propan-1-one has a molecular weight of 2965.27 g/mol, XLogP of 41.57, 54 rotatable bonds, 8 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-(4-ethanimidoylphenyl)propan-1-one;1-(1-benzyl-2,5-dimethylpyrrol-3-yl)-3-(4-ethanimidoylphenyl)propan-1-one;1-[5-chloro-1-[(2,6-dichlorophenyl)methyl]-3-methylpyrazol-4-yl]-3-(4-ethanimidoylphenyl)propan-1-one;1-[5-chloro-1-[(4-fluorophenyl)methyl]-3-methylpyrazol-4-yl]-3-(4-ethanimidoylphenyl)propan-1-one;1-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(4-ethanimidoylphenyl)propan-1-one;1-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3-(4-ethanimidoylphenyl)propan-1-one;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-3-(4-ethanimidoylphenyl)propan-1-one;3-(4-ethanimidoylphenyl)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)propan-1-one is sourced from PubChem (CID 161399025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).