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

C100H107Cl5N12O15S — CID 158927866

IUPAC2-(diethylamino)ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate;ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate;methyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate
SMILESCCN(CC)CCOC(=O)Cn1nc(C)c(Cl)c1-c1ccc(-c2cccc(C)c2)o1.CCOC(=O)Cn1nc(C)c(Cl)c1-c1ccc(-c2cccc(C)c2)o1.COC(=O)Cn1nc(C)c(Cl)c1-c1ccc(-c2cccc(C)c2)o1.CSCOC(=O)Cn1nc(C)c(Cl)c1-c1ccc(-c2cccc(C)c2)o1.Cc1cccc(-c2ccc(-c3c(Cl)c(C)nn3CC(=O)OCCN(C)C)o2)c1
InChIInChI=1S/C23H28ClN3O3.C21H24ClN3O3.C19H19ClN2O3S.C19H19ClN2O3.C18H17ClN2O3/c1-5-26(6-2)12-13-29-21(28)15-27-23(22(24)17(4)25-27)20-11-10-19(30-20)18-9-7-8-16(3)14-18;1-14-6-5-7-16(12-14)17-8-9-18(28-17)21-20(22)15(2)23-25(21)13-19(26)27-11-10-24(3)4;1-12-5-4-6-14(9-12)15-7-8-16(25-15)19-18(20)13(2)21-22(19)10-17(23)24-11-26-3;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;1-11-5-4-6-13(9-11)14-7-8-15(24-14)18-17(19)12(2)20-21(18)10-16(22)23-3/h7-11,14H,5-6,12-13,15H2,1-4H3;5-9,12H,10-11,13H2,1-4H3;4-9H,10-11H2,1-3H3;5-10H,4,11H2,1-3H3;4-9H,10H2,1-3H3
InChIKeyJIRADKUZVZZWPM-UHFFFAOYSA-N
MW1926.36 g/mol
LogP22.99
Rot. Bonds31

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

2-(diethylamino)ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate;ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate;methyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate (PubChem CID 158927866) has the molecular formula C100H107Cl5N12O15S and a molecular weight of 1926.36 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate;ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate;methyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate.

Molecular Properties

Compound Name2-(diethylamino)ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate;ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate;methyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate
PubChem CID158927866
Molecular FormulaC100H107Cl5N12O15S
Molecular Weight1926.36 g/mol
Exact Mass1922.61
IUPAC Name2-(diethylamino)ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate;ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate;methyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate
SMILESCCN(CC)CCOC(=O)Cn1nc(C)c(Cl)c1-c1ccc(-c2cccc(C)c2)o1.CCOC(=O)Cn1nc(C)c(Cl)c1-c1ccc(-c2cccc(C)c2)o1.COC(=O)Cn1nc(C)c(Cl)c1-c1ccc(-c2cccc(C)c2)o1.CSCOC(=O)Cn1nc(C)c(Cl)c1-c1ccc(-c2cccc(C)c2)o1.Cc1cccc(-c2ccc(-c3c(Cl)c(C)nn3CC(=O)OCCN(C)C)o2)c1
InChIInChI=1S/C23H28ClN3O3.C21H24ClN3O3.C19H19ClN2O3S.C19H19ClN2O3.C18H17ClN2O3/c1-5-26(6-2)12-13-29-21(28)15-27-23(22(24)17(4)25-27)20-11-10-19(30-20)18-9-7-8-16(3)14-18;1-14-6-5-7-16(12-14)17-8-9-18(28-17)21-20(22)15(2)23-25(21)13-19(26)27-11-10-24(3)4;1-12-5-4-6-14(9-12)15-7-8-16(25-15)19-18(20)13(2)21-22(19)10-17(23)24-11-26-3;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;1-11-5-4-6-13(9-11)14-7-8-15(24-14)18-17(19)12(2)20-21(18)10-16(22)23-3/h7-11,14H,5-6,12-13,15H2,1-4H3;5-9,12H,10-11,13H2,1-4H3;4-9H,10-11H2,1-3H3;5-10H,4,11H2,1-3H3;4-9H,10H2,1-3H3
InChIKeyJIRADKUZVZZWPM-UHFFFAOYSA-N
XLogP22.99
TPSA292.78 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds31
Heavy Atoms133
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001926.36
LogP ≤ 522.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

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-[4-chloro-3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate;ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate;methyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[4-chloro-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-[4-chloro-3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate;ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate;methyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate?
The IUPAC name of 2-(diethylamino)ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate;ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate;methyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate (CID 158927866) is 2-(diethylamino)ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate;ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate;methyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate.
What is the SMILES notation for 2-(diethylamino)ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate;ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate;methyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate?
The canonical SMILES for 2-(diethylamino)ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate;ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate;methyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate is CCN(CC)CCOC(=O)Cn1nc(C)c(Cl)c1-c1ccc(-c2cccc(C)c2)o1.CCOC(=O)Cn1nc(C)c(Cl)c1-c1ccc(-c2cccc(C)c2)o1.COC(=O)Cn1nc(C)c(Cl)c1-c1ccc(-c2cccc(C)c2)o1.CSCOC(=O)Cn1nc(C)c(Cl)c1-c1ccc(-c2cccc(C)c2)o1.Cc1cccc(-c2ccc(-c3c(Cl)c(C)nn3CC(=O)OCCN(C)C)o2)c1.
What is the InChIKey of 2-(diethylamino)ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate;ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate;methyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate?
The InChIKey is JIRADKUZVZZWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O3.C21H24ClN3O3.C19H19ClN2O3S.C19H19ClN2O3.C18H17ClN2O3/c1-5-26(6-2)12-13-29-21(28)15-27-23(22(24)17(4)25-27)20-11-10-19(30-20)18-9-7-8-16(3)14-18;1-14-6-5-7-16(12-14)17-8-9-18(28-17)21-20(22)15(2)23-25(21)13-19(26)27-11-10-24(3)4;1-12-5-4-6-14(9-12)15-7-8-16(25-15)19-18(20)13(2)21-22(19)10-17(23)24-11-26-3;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;1-11-5-4-6-13(9-11)14-7-8-15(24-14)18-17(19)12(2)20-21(18)10-16(22)23-3/h7-11,14H,5-6,12-13,15H2,1-4H3;5-9,12H,10-11,13H2,1-4H3;4-9H,10-11H2,1-3H3;5-10H,4,11H2,1-3H3;4-9H,10H2,1-3H3.
What are the key properties of 2-(diethylamino)ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate;ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate;methyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate?
2-(diethylamino)ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate;ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate;methyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate has a molecular weight of 1926.36 g/mol, XLogP of 22.99, 31 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate;ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate;methyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)furan-2-yl]pyrazol-1-yl]acetate is sourced from PubChem (CID 158927866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).