2-[4-bromo-3-methyl-5-[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]pyrazol-1-yl]acetic acid;2-(diethylamino)ethyl 2-[4-chloro-3-methyl-5-[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[4-bromo-3-methyl-5-[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]pyrazol-1-yl]acetate;ethyl 2-[4-chloro-3-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetate;methyl 2-[4-bromo-3-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[4-chloro-3-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[4-chloro-3-methyl-5-[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]pyrazol-1-yl]acetate

C122H127Br3Cl4N30O17S6 — CID 158682944

IUPAC2-[4-bromo-3-methyl-5-[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]pyrazol-1-yl]acetic acid;2-(diethylamino)ethyl 2-[4-chloro-3-methyl-5-[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[4-bromo-3-methyl-5-[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]pyrazol-1-yl]acetate;ethyl 2-[4-chloro-3-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetate;methyl 2-[4-bromo-3-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[4-chloro-3-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[4-chloro-3-methyl-5-[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]pyrazol-1-yl]acetate
SMILESCCN(CC)CCOC(=O)Cn1nc(C)c(Cl)c1-c1nc(-c2cccc(C)c2)ns1.CCOC(=O)Cn1nc(C)c(Cl)c1-c1nc(-c2cccc(C)c2)no1.COC(=O)Cn1nc(C)c(Br)c1-c1nc(-c2cccc(C)c2)no1.CSCOC(=O)Cn1nc(C)c(Cl)c1-c1nc(-c2cccc(C)c2)no1.CSCOC(=O)Cn1nc(C)c(Cl)c1-c1nc(-c2cccc(C)c2)ns1.Cc1cccc(-c2nsc(-c3c(Br)c(C)nn3CC(=O)O)n2)c1.Cc1cccc(-c2nsc(-c3c(Br)c(C)nn3CC(=O)OCCN(C)C)n2)c1
InChIInChI=1S/C21H26ClN5O2S.C19H22BrN5O2S.C17H17ClN4O3S.C17H17ClN4O3.C17H17ClN4O2S2.C16H15BrN4O3.C15H13BrN4O2S/c1-5-26(6-2)10-11-29-17(28)13-27-19(18(22)15(4)24-27)21-23-20(25-30-21)16-9-7-8-14(3)12-16;1-12-6-5-7-14(10-12)18-21-19(28-23-18)17-16(20)13(2)22-25(17)11-15(26)27-9-8-24(3)4;1-10-5-4-6-12(7-10)16-19-17(25-21-16)15-14(18)11(2)20-22(15)8-13(23)24-9-26-3;1-4-24-13(23)9-22-15(14(18)11(3)20-22)17-19-16(21-25-17)12-7-5-6-10(2)8-12;1-10-5-4-6-12(7-10)16-19-17(26-21-16)15-14(18)11(2)20-22(15)8-13(23)24-9-25-3;1-9-5-4-6-11(7-9)15-18-16(24-20-15)14-13(17)10(2)19-21(14)8-12(22)23-3;1-8-4-3-5-10(6-8)14-17-15(23-19-14)13-12(16)9(2)18-20(13)7-11(21)22/h7-9,12H,5-6,10-11,13H2,1-4H3;5-7,10H,8-9,11H2,1-4H3;4-7H,8-9H2,1-3H3;5-8H,4,9H2,1-3H3;4-7H,8-9H2,1-3H3;4-7H,8H2,1-3H3;3-6H,7H2,1-2H3,(H,21,22)
InChIKeyIFJHQGLNAPYBTJ-UHFFFAOYSA-N
MW2859.48 g/mol
LogP25.83
Rot. Bonds41

About 2-[4-bromo-3-methyl-5-[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]pyrazol-1-yl]acetic acid;2-(diethylamino)ethyl 2-[4-chloro-3-methyl-5-[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[4-bromo-3-methyl-5-[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]pyrazol-1-yl]acetate;ethyl 2-[4-chloro-3-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetate;methyl 2-[4-bromo-3-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[4-chloro-3-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[4-chloro-3-methyl-5-[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]pyrazol-1-yl]acetate

2-[4-bromo-3-methyl-5-[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]pyrazol-1-yl]acetic acid;2-(diethylamino)ethyl 2-[4-chloro-3-methyl-5-[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[4-bromo-3-methyl-5-[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]pyrazol-1-yl]acetate;ethyl 2-[4-chloro-3-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetate;methyl 2-[4-bromo-3-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[4-chloro-3-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[4-chloro-3-methyl-5-[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]pyrazol-1-yl]acetate (PubChem CID 158682944) has the molecular formula C122H127Br3Cl4N30O17S6 and a molecular weight of 2859.48 g/mol. Its IUPAC name is 2-[4-bromo-3-methyl-5-[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]pyrazol-1-yl]acetic acid;2-(diethylamino)ethyl 2-[4-chloro-3-methyl-5-[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[4-bromo-3-methyl-5-[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]pyrazol-1-yl]acetate;ethyl 2-[4-chloro-3-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetate;methyl 2-[4-bromo-3-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[4-chloro-3-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[4-chloro-3-methyl-5-[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]pyrazol-1-yl]acetate.

Molecular Properties

Compound Name2-[4-bromo-3-methyl-5-[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]pyrazol-1-yl]acetic acid;2-(diethylamino)ethyl 2-[4-chloro-3-methyl-5-[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[4-bromo-3-methyl-5-[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]pyrazol-1-yl]acetate;ethyl 2-[4-chloro-3-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetate;methyl 2-[4-bromo-3-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[4-chloro-3-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[4-chloro-3-methyl-5-[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]pyrazol-1-yl]acetate
PubChem CID158682944
Molecular FormulaC122H127Br3Cl4N30O17S6
Molecular Weight2859.48 g/mol
Exact Mass2852.46
IUPAC Name2-[4-bromo-3-methyl-5-[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]pyrazol-1-yl]acetic acid;2-(diethylamino)ethyl 2-[4-chloro-3-methyl-5-[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[4-bromo-3-methyl-5-[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]pyrazol-1-yl]acetate;ethyl 2-[4-chloro-3-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetate;methyl 2-[4-bromo-3-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[4-chloro-3-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[4-chloro-3-methyl-5-[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]pyrazol-1-yl]acetate
SMILESCCN(CC)CCOC(=O)Cn1nc(C)c(Cl)c1-c1nc(-c2cccc(C)c2)ns1.CCOC(=O)Cn1nc(C)c(Cl)c1-c1nc(-c2cccc(C)c2)no1.COC(=O)Cn1nc(C)c(Br)c1-c1nc(-c2cccc(C)c2)no1.CSCOC(=O)Cn1nc(C)c(Cl)c1-c1nc(-c2cccc(C)c2)no1.CSCOC(=O)Cn1nc(C)c(Cl)c1-c1nc(-c2cccc(C)c2)ns1.Cc1cccc(-c2nsc(-c3c(Br)c(C)nn3CC(=O)O)n2)c1.Cc1cccc(-c2nsc(-c3c(Br)c(C)nn3CC(=O)OCCN(C)C)n2)c1
InChIInChI=1S/C21H26ClN5O2S.C19H22BrN5O2S.C17H17ClN4O3S.C17H17ClN4O3.C17H17ClN4O2S2.C16H15BrN4O3.C15H13BrN4O2S/c1-5-26(6-2)10-11-29-17(28)13-27-19(18(22)15(4)24-27)21-23-20(25-30-21)16-9-7-8-14(3)12-16;1-12-6-5-7-14(10-12)18-21-19(28-23-18)17-16(20)13(2)22-25(17)11-15(26)27-9-8-24(3)4;1-10-5-4-6-12(7-10)16-19-17(25-21-16)15-14(18)11(2)20-22(15)8-13(23)24-9-26-3;1-4-24-13(23)9-22-15(14(18)11(3)20-22)17-19-16(21-25-17)12-7-5-6-10(2)8-12;1-10-5-4-6-12(7-10)16-19-17(26-21-16)15-14(18)11(2)20-22(15)8-13(23)24-9-25-3;1-9-5-4-6-11(7-9)15-18-16(24-20-15)14-13(17)10(2)19-21(14)8-12(22)23-3;1-8-4-3-5-10(6-8)14-17-15(23-19-14)13-12(16)9(2)18-20(13)7-11(21)22/h7-9,12H,5-6,10-11,13H2,1-4H3;5-7,10H,8-9,11H2,1-4H3;4-7H,8-9H2,1-3H3;5-8H,4,9H2,1-3H3;4-7H,8-9H2,1-3H3;4-7H,8H2,1-3H3;3-6H,7H2,1-2H3,(H,21,22)
InChIKeyIFJHQGLNAPYBTJ-UHFFFAOYSA-N
XLogP25.83
TPSA546.20 Ų
H-Bond Donors1
H-Bond Acceptors52
Rotatable Bonds41
Heavy Atoms182
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002859.48
LogP ≤ 525.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1052

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-[4-bromo-3-methyl-5-[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]pyrazol-1-yl]acetic acid;2-(diethylamino)ethyl 2-[4-chloro-3-methyl-5-[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[4-bromo-3-methyl-5-[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]pyrazol-1-yl]acetate;ethyl 2-[4-chloro-3-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetate;methyl 2-[4-bromo-3-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[4-chloro-3-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[4-chloro-3-methyl-5-[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]pyrazol-1-yl]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-3-methyl-5-[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]pyrazol-1-yl]acetic acid;2-(diethylamino)ethyl 2-[4-chloro-3-methyl-5-[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[4-bromo-3-methyl-5-[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]pyrazol-1-yl]acetate;ethyl 2-[4-chloro-3-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetate;methyl 2-[4-bromo-3-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[4-chloro-3-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[4-chloro-3-methyl-5-[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]pyrazol-1-yl]acetate?
The IUPAC name of 2-[4-bromo-3-methyl-5-[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]pyrazol-1-yl]acetic acid;2-(diethylamino)ethyl 2-[4-chloro-3-methyl-5-[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[4-bromo-3-methyl-5-[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]pyrazol-1-yl]acetate;ethyl 2-[4-chloro-3-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetate;methyl 2-[4-bromo-3-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[4-chloro-3-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[4-chloro-3-methyl-5-[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]pyrazol-1-yl]acetate (CID 158682944) is 2-[4-bromo-3-methyl-5-[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]pyrazol-1-yl]acetic acid;2-(diethylamino)ethyl 2-[4-chloro-3-methyl-5-[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[4-bromo-3-methyl-5-[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]pyrazol-1-yl]acetate;ethyl 2-[4-chloro-3-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetate;methyl 2-[4-bromo-3-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[4-chloro-3-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[4-chloro-3-methyl-5-[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]pyrazol-1-yl]acetate.
What is the SMILES notation for 2-[4-bromo-3-methyl-5-[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]pyrazol-1-yl]acetic acid;2-(diethylamino)ethyl 2-[4-chloro-3-methyl-5-[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[4-bromo-3-methyl-5-[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]pyrazol-1-yl]acetate;ethyl 2-[4-chloro-3-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetate;methyl 2-[4-bromo-3-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[4-chloro-3-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[4-chloro-3-methyl-5-[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]pyrazol-1-yl]acetate?
The canonical SMILES for 2-[4-bromo-3-methyl-5-[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]pyrazol-1-yl]acetic acid;2-(diethylamino)ethyl 2-[4-chloro-3-methyl-5-[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[4-bromo-3-methyl-5-[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]pyrazol-1-yl]acetate;ethyl 2-[4-chloro-3-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetate;methyl 2-[4-bromo-3-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[4-chloro-3-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[4-chloro-3-methyl-5-[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]pyrazol-1-yl]acetate is CCN(CC)CCOC(=O)Cn1nc(C)c(Cl)c1-c1nc(-c2cccc(C)c2)ns1.CCOC(=O)Cn1nc(C)c(Cl)c1-c1nc(-c2cccc(C)c2)no1.COC(=O)Cn1nc(C)c(Br)c1-c1nc(-c2cccc(C)c2)no1.CSCOC(=O)Cn1nc(C)c(Cl)c1-c1nc(-c2cccc(C)c2)no1.CSCOC(=O)Cn1nc(C)c(Cl)c1-c1nc(-c2cccc(C)c2)ns1.Cc1cccc(-c2nsc(-c3c(Br)c(C)nn3CC(=O)O)n2)c1.Cc1cccc(-c2nsc(-c3c(Br)c(C)nn3CC(=O)OCCN(C)C)n2)c1.
What is the InChIKey of 2-[4-bromo-3-methyl-5-[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]pyrazol-1-yl]acetic acid;2-(diethylamino)ethyl 2-[4-chloro-3-methyl-5-[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[4-bromo-3-methyl-5-[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]pyrazol-1-yl]acetate;ethyl 2-[4-chloro-3-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetate;methyl 2-[4-bromo-3-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[4-chloro-3-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[4-chloro-3-methyl-5-[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]pyrazol-1-yl]acetate?
The InChIKey is IFJHQGLNAPYBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN5O2S.C19H22BrN5O2S.C17H17ClN4O3S.C17H17ClN4O3.C17H17ClN4O2S2.C16H15BrN4O3.C15H13BrN4O2S/c1-5-26(6-2)10-11-29-17(28)13-27-19(18(22)15(4)24-27)21-23-20(25-30-21)16-9-7-8-14(3)12-16;1-12-6-5-7-14(10-12)18-21-19(28-23-18)17-16(20)13(2)22-25(17)11-15(26)27-9-8-24(3)4;1-10-5-4-6-12(7-10)16-19-17(25-21-16)15-14(18)11(2)20-22(15)8-13(23)24-9-26-3;1-4-24-13(23)9-22-15(14(18)11(3)20-22)17-19-16(21-25-17)12-7-5-6-10(2)8-12;1-10-5-4-6-12(7-10)16-19-17(26-21-16)15-14(18)11(2)20-22(15)8-13(23)24-9-25-3;1-9-5-4-6-11(7-9)15-18-16(24-20-15)14-13(17)10(2)19-21(14)8-12(22)23-3;1-8-4-3-5-10(6-8)14-17-15(23-19-14)13-12(16)9(2)18-20(13)7-11(21)22/h7-9,12H,5-6,10-11,13H2,1-4H3;5-7,10H,8-9,11H2,1-4H3;4-7H,8-9H2,1-3H3;5-8H,4,9H2,1-3H3;4-7H,8-9H2,1-3H3;4-7H,8H2,1-3H3;3-6H,7H2,1-2H3,(H,21,22).
What are the key properties of 2-[4-bromo-3-methyl-5-[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]pyrazol-1-yl]acetic acid;2-(diethylamino)ethyl 2-[4-chloro-3-methyl-5-[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[4-bromo-3-methyl-5-[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]pyrazol-1-yl]acetate;ethyl 2-[4-chloro-3-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetate;methyl 2-[4-bromo-3-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[4-chloro-3-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[4-chloro-3-methyl-5-[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]pyrazol-1-yl]acetate?
2-[4-bromo-3-methyl-5-[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]pyrazol-1-yl]acetic acid;2-(diethylamino)ethyl 2-[4-chloro-3-methyl-5-[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[4-bromo-3-methyl-5-[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]pyrazol-1-yl]acetate;ethyl 2-[4-chloro-3-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetate;methyl 2-[4-bromo-3-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[4-chloro-3-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[4-chloro-3-methyl-5-[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]pyrazol-1-yl]acetate has a molecular weight of 2859.48 g/mol, XLogP of 25.83, 41 rotatable bonds, 1 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-3-methyl-5-[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]pyrazol-1-yl]acetic acid;2-(diethylamino)ethyl 2-[4-chloro-3-methyl-5-[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[4-bromo-3-methyl-5-[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]pyrazol-1-yl]acetate;ethyl 2-[4-chloro-3-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetate;methyl 2-[4-bromo-3-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[4-chloro-3-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[4-chloro-3-methyl-5-[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]pyrazol-1-yl]acetate is sourced from PubChem (CID 158682944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).