2-(diethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;methyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate

C119H130Cl2N14O12S7 — CID 159010281

IUPAC2-(diethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;methyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate
SMILESCCN(CC)CCOC(=O)Cn1nc(C)cc1-c1ccc(-c2cccc(C)c2)s1.CCOC(=O)Cn1nc(C)c(Cl)c1-c1ccc(-c2cccc(C)c2)s1.CCOC(=O)Cn1nc(C)cc1-c1ccc(-c2cccc(C)c2)s1.COC(=O)Cn1nc(C)c(Cl)c1-c1ccc(-c2cccc(C)c2)s1.CSCOC(=O)Cn1nc(C)cc1-c1ccc(-c2cccc(C)c2)s1.Cc1cccc(-c2ccc(-c3cc(C)nn3CC(=O)OCCN(C)C)s2)c1
InChIInChI=1S/C23H29N3O2S.C21H25N3O2S.C19H19ClN2O2S.C19H20N2O2S2.C19H20N2O2S.C18H17ClN2O2S/c1-5-25(6-2)12-13-28-23(27)16-26-20(15-18(4)24-26)22-11-10-21(29-22)19-9-7-8-17(3)14-19;1-15-6-5-7-17(12-15)19-8-9-20(27-19)18-13-16(2)22-24(18)14-21(25)26-11-10-23(3)4;1-4-24-17(23)11-22-19(18(20)13(3)21-22)16-9-8-15(25-16)14-7-5-6-12(2)10-14;1-13-5-4-6-15(9-13)17-7-8-18(25-17)16-10-14(2)20-21(16)11-19(22)23-12-24-3;1-4-23-19(22)12-21-16(11-14(3)20-21)18-9-8-17(24-18)15-7-5-6-13(2)10-15;1-11-5-4-6-13(9-11)14-7-8-15(24-14)18-17(19)12(2)20-21(18)10-16(22)23-3/h7-11,14-15H,5-6,12-13,16H2,1-4H3;5-9,12-13H,10-11,14H2,1-4H3;5-10H,4,11H2,1-3H3;4-10H,11-12H2,1-3H3;5-11H,4,12H2,1-3H3;4-9H,10H2,1-3H3
InChIKeyJSKADNXWODCCMW-UHFFFAOYSA-N
MW2243.81 g/mol
LogP27.83
Rot. Bonds36

About 2-(diethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;methyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate

2-(diethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;methyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate (PubChem CID 159010281) has the molecular formula C119H130Cl2N14O12S7 and a molecular weight of 2243.81 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;methyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate.

Molecular Properties

Compound Name2-(diethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;methyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate
PubChem CID159010281
Molecular FormulaC119H130Cl2N14O12S7
Molecular Weight2243.81 g/mol
Exact Mass2240.74
IUPAC Name2-(diethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;methyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate
SMILESCCN(CC)CCOC(=O)Cn1nc(C)cc1-c1ccc(-c2cccc(C)c2)s1.CCOC(=O)Cn1nc(C)c(Cl)c1-c1ccc(-c2cccc(C)c2)s1.CCOC(=O)Cn1nc(C)cc1-c1ccc(-c2cccc(C)c2)s1.COC(=O)Cn1nc(C)c(Cl)c1-c1ccc(-c2cccc(C)c2)s1.CSCOC(=O)Cn1nc(C)cc1-c1ccc(-c2cccc(C)c2)s1.Cc1cccc(-c2ccc(-c3cc(C)nn3CC(=O)OCCN(C)C)s2)c1
InChIInChI=1S/C23H29N3O2S.C21H25N3O2S.C19H19ClN2O2S.C19H20N2O2S2.C19H20N2O2S.C18H17ClN2O2S/c1-5-25(6-2)12-13-28-23(27)16-26-20(15-18(4)24-26)22-11-10-21(29-22)19-9-7-8-17(3)14-19;1-15-6-5-7-17(12-15)19-8-9-20(27-19)18-13-16(2)22-24(18)14-21(25)26-11-10-23(3)4;1-4-24-17(23)11-22-19(18(20)13(3)21-22)16-9-8-15(25-16)14-7-5-6-12(2)10-14;1-13-5-4-6-15(9-13)17-7-8-18(25-17)16-10-14(2)20-21(16)11-19(22)23-12-24-3;1-4-23-19(22)12-21-16(11-14(3)20-21)18-9-8-17(24-18)15-7-5-6-13(2)10-15;1-11-5-4-6-13(9-11)14-7-8-15(24-14)18-17(19)12(2)20-21(18)10-16(22)23-3/h7-11,14-15H,5-6,12-13,16H2,1-4H3;5-9,12-13H,10-11,14H2,1-4H3;5-10H,4,11H2,1-3H3;4-10H,11-12H2,1-3H3;5-11H,4,12H2,1-3H3;4-9H,10H2,1-3H3
InChIKeyJSKADNXWODCCMW-UHFFFAOYSA-N
XLogP27.83
TPSA271.20 Ų
H-Bond Donors
H-Bond Acceptors33
Rotatable Bonds36
Heavy Atoms154
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002243.81
LogP ≤ 527.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1033

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-(diethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;methyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate with MolForge

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Related Compounds

2-(diethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)-1H-pyrrol-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)-1H-pyrrol-2-yl]pyrazol-1-yl]acetate;methyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)-1H-pyrrol-2-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)-1H-pyrrol-2-yl]pyrazol-1-yl]acetate
CID 157245535
2-(Diethylamino)ethyl 2-[3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;ethyl 2-[4-chloro-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;methyl 2-[4-chloro-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate
CID 157360145
2-(diethylamino)ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)-1H-pyrrol-2-yl]pyrazol-1-yl]acetate;2-(diethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)-1H-pyrrol-2-yl]pyrazol-1-yl]acetate;ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)-1H-pyrrol-2-yl]pyrazol-1-yl]acetate;methyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)-1H-pyrrol-2-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)-1H-pyrrol-2-yl]pyrazol-1-yl]acetate
CID 157399799
2-(Dimethylamino)ethyl 2-[5-[4-(4-ethyl-3-methylsulfonylphenyl)phenyl]-3-methylpyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[5-[4-(3-ethylsulfonylphenyl)phenyl]-3-methylpyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;methane;methylsulfanylmethyl 2-[5-[4-(4-ethyl-3-methylsulfonylphenyl)phenyl]-3-methylpyrazol-1-yl]acetate;methylsulfanylmethyl 2-[5-[4-(3-ethylsulfonylphenyl)phenyl]-3-methylpyrazol-1-yl]acetate;methylsulfanylmethyl 2-[3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate
CID 157762490
2-(Diethylamino)ethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;methyl 2-[3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate
CID 157866751
Ethyl 2-[5-[4-(4-ethyl-3-methylsulfonylphenyl)phenyl]-3-methylpyrazol-1-yl]acetate;ethyl 2-[5-[4-(3-ethylsulfonylphenyl)phenyl]-3-methylpyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[5-[4-(3-ethylsulfonylphenyl)phenyl]-3-methylpyrazol-1-yl]acetate;methylsulfanylmethyl 2-[3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate
CID 157906770
2-(Diethylamino)ethyl 2-[4-chloro-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[4-chloro-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;ethyl 2-[4-chloro-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;methyl 2-[4-bromo-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;methyl 2-[4-chloro-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[4-chloro-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate
CID 158010149
2-(Diethylamino)ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;ethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;methyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate
CID 158109752
2-(Diethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate
CID 158278929
2-(Diethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;methyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetate
CID 158291083
2-(Diethylamino)ethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;methyl 2-[3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate
CID 158531252
2-(Diethylamino)ethyl 2-[3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[4-chloro-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;ethyl 2-[4-chloro-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;methyl 2-[4-chloro-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[4-chloro-3-methyl-5-[4-(3-methylsulfonylphenyl)phenyl]pyrazol-1-yl]acetate
CID 158880235

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;methyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate?
The IUPAC name of 2-(diethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;methyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate (CID 159010281) is 2-(diethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;methyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate.
What is the SMILES notation for 2-(diethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;methyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate?
The canonical SMILES for 2-(diethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;methyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate is CCN(CC)CCOC(=O)Cn1nc(C)cc1-c1ccc(-c2cccc(C)c2)s1.CCOC(=O)Cn1nc(C)c(Cl)c1-c1ccc(-c2cccc(C)c2)s1.CCOC(=O)Cn1nc(C)cc1-c1ccc(-c2cccc(C)c2)s1.COC(=O)Cn1nc(C)c(Cl)c1-c1ccc(-c2cccc(C)c2)s1.CSCOC(=O)Cn1nc(C)cc1-c1ccc(-c2cccc(C)c2)s1.Cc1cccc(-c2ccc(-c3cc(C)nn3CC(=O)OCCN(C)C)s2)c1.
What is the InChIKey of 2-(diethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;methyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate?
The InChIKey is JSKADNXWODCCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2S.C21H25N3O2S.C19H19ClN2O2S.C19H20N2O2S2.C19H20N2O2S.C18H17ClN2O2S/c1-5-25(6-2)12-13-28-23(27)16-26-20(15-18(4)24-26)22-11-10-21(29-22)19-9-7-8-17(3)14-19;1-15-6-5-7-17(12-15)19-8-9-20(27-19)18-13-16(2)22-24(18)14-21(25)26-11-10-23(3)4;1-4-24-17(23)11-22-19(18(20)13(3)21-22)16-9-8-15(25-16)14-7-5-6-12(2)10-14;1-13-5-4-6-15(9-13)17-7-8-18(25-17)16-10-14(2)20-21(16)11-19(22)23-12-24-3;1-4-23-19(22)12-21-16(11-14(3)20-21)18-9-8-17(24-18)15-7-5-6-13(2)10-15;1-11-5-4-6-13(9-11)14-7-8-15(24-14)18-17(19)12(2)20-21(18)10-16(22)23-3/h7-11,14-15H,5-6,12-13,16H2,1-4H3;5-9,12-13H,10-11,14H2,1-4H3;5-10H,4,11H2,1-3H3;4-10H,11-12H2,1-3H3;5-11H,4,12H2,1-3H3;4-9H,10H2,1-3H3.
What are the key properties of 2-(diethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;methyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate?
2-(diethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;methyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate has a molecular weight of 2243.81 g/mol, XLogP of 27.83, 36 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;methyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate is sourced from PubChem (CID 159010281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).