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

C119H132Cl2N16O16S — CID 159559565

IUPAC2-(diethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate;ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)-1H-pyrrol-2-yl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[5-(3-methylphenyl)furan-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-[3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate
SMILESCCN(CC)CCOC(=O)Cn1nc(C)cc1-c1ccc(-c2cccc(C)c2)o1.CCOC(=O)Cn1nc(C)c(Cl)c1-c1ccc(-c2cccc(C)c2)[nH]1.CCOC(=O)Cn1nc(C)cc1-c1ccc(-c2cccc(C)c2)o1.COC(=O)Cn1nc(C)c(Cl)c1-c1ccc(-c2cccc(C)c2)[nH]1.CSCOC(=O)Cn1nc(C)cc1-c1ccc(-c2cccc(C)c2)o1.Cc1cccc(-c2ccc(-c3cc(C)nn3CC(=O)OCCN(C)C)o2)c1
InChIInChI=1S/C23H29N3O3.C21H25N3O3.C19H20ClN3O2.C19H20N2O3S.C19H20N2O3.C18H18ClN3O2/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;1-4-25-17(24)11-23-19(18(20)13(3)22-23)16-9-8-15(21-16)14-7-5-6-12(2)10-14;1-13-5-4-6-15(9-13)17-7-8-18(24-17)16-10-14(2)20-21(16)11-19(22)23-12-25-3;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(20-14)18-17(19)12(2)21-22(18)10-16(23)24-3/h7-11,14-15H,5-6,12-13,16H2,1-4H3;5-9,12-13H,10-11,14H2,1-4H3;5-10,21H,4,11H2,1-3H3;4-10H,11-12H2,1-3H3;5-11H,4,12H2,1-3H3;4-9,20H,10H2,1-3H3
InChIKeyMGKVYXMLWWXJCP-UHFFFAOYSA-N
MW2145.43 g/mol
LogP24.49
Rot. Bonds36

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

2-(diethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate;ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)-1H-pyrrol-2-yl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[5-(3-methylphenyl)furan-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-[3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate (PubChem CID 159559565) has the molecular formula C119H132Cl2N16O16S and a molecular weight of 2145.43 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate;ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)-1H-pyrrol-2-yl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[5-(3-methylphenyl)furan-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-[3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate.

Molecular Properties

Compound Name2-(diethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate;ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)-1H-pyrrol-2-yl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[5-(3-methylphenyl)furan-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-[3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate
PubChem CID159559565
Molecular FormulaC119H132Cl2N16O16S
Molecular Weight2145.43 g/mol
Exact Mass2142.91
IUPAC Name2-(diethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate;ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)-1H-pyrrol-2-yl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[5-(3-methylphenyl)furan-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-[3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate
SMILESCCN(CC)CCOC(=O)Cn1nc(C)cc1-c1ccc(-c2cccc(C)c2)o1.CCOC(=O)Cn1nc(C)c(Cl)c1-c1ccc(-c2cccc(C)c2)[nH]1.CCOC(=O)Cn1nc(C)cc1-c1ccc(-c2cccc(C)c2)o1.COC(=O)Cn1nc(C)c(Cl)c1-c1ccc(-c2cccc(C)c2)[nH]1.CSCOC(=O)Cn1nc(C)cc1-c1ccc(-c2cccc(C)c2)o1.Cc1cccc(-c2ccc(-c3cc(C)nn3CC(=O)OCCN(C)C)o2)c1
InChIInChI=1S/C23H29N3O3.C21H25N3O3.C19H20ClN3O2.C19H20N2O3S.C19H20N2O3.C18H18ClN3O2/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;1-4-25-17(24)11-23-19(18(20)13(3)22-23)16-9-8-15(21-16)14-7-5-6-12(2)10-14;1-13-5-4-6-15(9-13)17-7-8-18(24-17)16-10-14(2)20-21(16)11-19(22)23-12-25-3;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(20-14)18-17(19)12(2)21-22(18)10-16(23)24-3/h7-11,14-15H,5-6,12-13,16H2,1-4H3;5-9,12-13H,10-11,14H2,1-4H3;5-10,21H,4,11H2,1-3H3;4-10H,11-12H2,1-3H3;5-11H,4,12H2,1-3H3;4-9,20H,10H2,1-3H3
InChIKeyMGKVYXMLWWXJCP-UHFFFAOYSA-N
XLogP24.49
TPSA355.34 Ų
H-Bond Donors2
H-Bond Acceptors31
Rotatable Bonds36
Heavy Atoms154
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002145.43
LogP ≤ 524.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1031

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)furan-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate;ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)-1H-pyrrol-2-yl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[5-(3-methylphenyl)furan-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-[3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate;ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)-1H-pyrrol-2-yl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[5-(3-methylphenyl)furan-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-[3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate?
The IUPAC name of 2-(diethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate;ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)-1H-pyrrol-2-yl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[5-(3-methylphenyl)furan-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-[3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate (CID 159559565) is 2-(diethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate;ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)-1H-pyrrol-2-yl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[5-(3-methylphenyl)furan-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-[3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate.
What is the SMILES notation for 2-(diethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate;ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)-1H-pyrrol-2-yl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[5-(3-methylphenyl)furan-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-[3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate?
The canonical SMILES for 2-(diethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate;ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)-1H-pyrrol-2-yl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[5-(3-methylphenyl)furan-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-[3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate is CCN(CC)CCOC(=O)Cn1nc(C)cc1-c1ccc(-c2cccc(C)c2)o1.CCOC(=O)Cn1nc(C)c(Cl)c1-c1ccc(-c2cccc(C)c2)[nH]1.CCOC(=O)Cn1nc(C)cc1-c1ccc(-c2cccc(C)c2)o1.COC(=O)Cn1nc(C)c(Cl)c1-c1ccc(-c2cccc(C)c2)[nH]1.CSCOC(=O)Cn1nc(C)cc1-c1ccc(-c2cccc(C)c2)o1.Cc1cccc(-c2ccc(-c3cc(C)nn3CC(=O)OCCN(C)C)o2)c1.
What is the InChIKey of 2-(diethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate;ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)-1H-pyrrol-2-yl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[5-(3-methylphenyl)furan-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-[3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate?
The InChIKey is MGKVYXMLWWXJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3.C21H25N3O3.C19H20ClN3O2.C19H20N2O3S.C19H20N2O3.C18H18ClN3O2/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;1-4-25-17(24)11-23-19(18(20)13(3)22-23)16-9-8-15(21-16)14-7-5-6-12(2)10-14;1-13-5-4-6-15(9-13)17-7-8-18(24-17)16-10-14(2)20-21(16)11-19(22)23-12-25-3;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(20-14)18-17(19)12(2)21-22(18)10-16(23)24-3/h7-11,14-15H,5-6,12-13,16H2,1-4H3;5-9,12-13H,10-11,14H2,1-4H3;5-10,21H,4,11H2,1-3H3;4-10H,11-12H2,1-3H3;5-11H,4,12H2,1-3H3;4-9,20H,10H2,1-3H3.
What are the key properties of 2-(diethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate;ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)-1H-pyrrol-2-yl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[5-(3-methylphenyl)furan-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-[3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate?
2-(diethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate;ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)-1H-pyrrol-2-yl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[5-(3-methylphenyl)furan-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-[3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate has a molecular weight of 2145.43 g/mol, XLogP of 24.49, 36 rotatable bonds, 2 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate;ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)-1H-pyrrol-2-yl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[5-(3-methylphenyl)furan-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-[3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate is sourced from PubChem (CID 159559565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).