lithium;2-(dimethylamino)ethanol;2-(dimethylamino)ethyl 2-[3-methyl-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;2-[3-methyl-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-1-yl]acetic acid;hydroxide

C61H73LiN8O14S6 — CID 159629156

IUPAClithium;2-(dimethylamino)ethanol;2-(dimethylamino)ethyl 2-[3-methyl-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;2-[3-methyl-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-1-yl]acetic acid;hydroxide
SMILESCCOC(=O)Cn1nc(C)cc1-c1ccc(-c2cccc(S(C)(=O)=O)c2)s1.CN(C)CCO.Cc1cc(-c2ccc(-c3cccc(S(C)(=O)=O)c3)s2)n(CC(=O)O)n1.Cc1cc(-c2ccc(-c3cccc(S(C)(=O)=O)c3)s2)n(CC(=O)OCCN(C)C)n1.[Li+].[OH-]
InChIInChI=1S/C21H25N3O4S2.C19H20N2O4S2.C17H16N2O4S2.C4H11NO.Li.H2O/c1-15-12-18(24(22-15)14-21(25)28-11-10-23(2)3)20-9-8-19(29-20)16-6-5-7-17(13-16)30(4,26)27;1-4-25-19(22)12-21-16(10-13(2)20-21)18-9-8-17(26-18)14-6-5-7-15(11-14)27(3,23)24;1-11-8-14(19(18-11)10-17(20)21)16-7-6-15(24-16)12-4-3-5-13(9-12)25(2,22)23;1-5(2)3-4-6;;/h5-9,12-13H,10-11,14H2,1-4H3;5-11H,4,12H2,1-3H3;3-9H,10H2,1-2H3,(H,20,21);6H,3-4H2,1-2H3;;1H2/q;;;;+1;/p-1
InChIKeyMOWWPGDQTVWOLA-UHFFFAOYSA-M
MW1341.64 g/mol
LogP6.09
Rot. Bonds21

About lithium;2-(dimethylamino)ethanol;2-(dimethylamino)ethyl 2-[3-methyl-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;2-[3-methyl-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-1-yl]acetic acid;hydroxide

lithium;2-(dimethylamino)ethanol;2-(dimethylamino)ethyl 2-[3-methyl-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;2-[3-methyl-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-1-yl]acetic acid;hydroxide (PubChem CID 159629156) has the molecular formula C61H73LiN8O14S6 and a molecular weight of 1341.64 g/mol. Its IUPAC name is lithium;2-(dimethylamino)ethanol;2-(dimethylamino)ethyl 2-[3-methyl-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;2-[3-methyl-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-1-yl]acetic acid;hydroxide.

Molecular Properties

Compound Namelithium;2-(dimethylamino)ethanol;2-(dimethylamino)ethyl 2-[3-methyl-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;2-[3-methyl-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-1-yl]acetic acid;hydroxide
PubChem CID159629156
Molecular FormulaC61H73LiN8O14S6
Molecular Weight1341.64 g/mol
Exact Mass1340.37
IUPAC Namelithium;2-(dimethylamino)ethanol;2-(dimethylamino)ethyl 2-[3-methyl-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;2-[3-methyl-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-1-yl]acetic acid;hydroxide
SMILESCCOC(=O)Cn1nc(C)cc1-c1ccc(-c2cccc(S(C)(=O)=O)c2)s1.CN(C)CCO.Cc1cc(-c2ccc(-c3cccc(S(C)(=O)=O)c3)s2)n(CC(=O)O)n1.Cc1cc(-c2ccc(-c3cccc(S(C)(=O)=O)c3)s2)n(CC(=O)OCCN(C)C)n1.[Li+].[OH-]
InChIInChI=1S/C21H25N3O4S2.C19H20N2O4S2.C17H16N2O4S2.C4H11NO.Li.H2O/c1-15-12-18(24(22-15)14-21(25)28-11-10-23(2)3)20-9-8-19(29-20)16-6-5-7-17(13-16)30(4,26)27;1-4-25-19(22)12-21-16(10-13(2)20-21)18-9-8-17(26-18)14-6-5-7-15(11-14)27(3,23)24;1-11-8-14(19(18-11)10-17(20)21)16-7-6-15(24-16)12-4-3-5-13(9-12)25(2,22)23;1-5(2)3-4-6;;/h5-9,12-13H,10-11,14H2,1-4H3;5-11H,4,12H2,1-3H3;3-9H,10H2,1-2H3,(H,20,21);6H,3-4H2,1-2H3;;1H2/q;;;;+1;/p-1
InChIKeyMOWWPGDQTVWOLA-UHFFFAOYSA-M
XLogP6.09
TPSA302.49 Ų
H-Bond Donors2
H-Bond Acceptors24
Rotatable Bonds21
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001341.64
LogP ≤ 56.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1024

Analyze lithium;2-(dimethylamino)ethanol;2-(dimethylamino)ethyl 2-[3-methyl-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;2-[3-methyl-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-1-yl]acetic acid;hydroxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(dimethylamino)ethyl 2-(5-(5-(3-(methylsulfonyl)phenyl)thiophen-2-yl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetate
CID 89782860
2-(Diethylamino)ethyl 2-[5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-3-(trifluoromethyl)pyrazol-1-yl]acetate
CID 117865838
Methanol;methyl 2-[5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-3-(trifluoromethyl)pyrazol-1-yl]acetate;2-[5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-3-(trifluoromethyl)pyrazol-1-yl]acetic acid
CID 157154180
2-[5-[5-(3-Methylsulfonylphenyl)thiophen-2-yl]-3-(trifluoromethyl)pyrazol-1-yl]acetic acid;2-[5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-3-(trifluoromethyl)pyrazol-1-yl]-1-morpholin-4-ylethanone
CID 159791472
Methane;5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-1-propyl-3-(trifluoromethyl)pyrazole;2-[5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-3-(trifluoromethyl)pyrazol-1-yl]ethanol;3-[5-[3-(trifluoromethyl)-1-[2-(trifluoromethylsulfonyloxy)ethyl]pyrazol-5-yl]thiophen-2-yl]benzenesulfinate
CID 160631842
2-[5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-3-(trifluoromethyl)pyrazol-1-yl]ethanol;N-[2-[5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-3-(trifluoromethyl)pyrazol-1-yl]ethyl]propan-2-amine;3-[5-[3-(trifluoromethyl)-1-[2-(trifluoromethylsulfonyloxy)ethyl]pyrazol-5-yl]thiophen-2-yl]benzenesulfinate
CID 161304540
Ethyl 2-[5-[5-(3-ethylsulfonylphenyl)thiophen-2-yl]-3-methylpyrazol-1-yl]acetate
CID 117863388
2-(Dimethylamino)ethyl 2-[3-methyl-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate
CID 117863421
Ethyl 2-[3-methyl-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate
CID 117863487
2-(Dimethylamino)ethyl 2-[5-[5-(3-ethylsulfonylphenyl)thiophen-2-yl]-3-methylpyrazol-1-yl]acetate
CID 117863530
Methylsulfanylmethyl 2-[3-methyl-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate
CID 117863540
Propan-2-yl 2-[3-methyl-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate
CID 117863544

Frequently Asked Questions

What is the IUPAC name of lithium;2-(dimethylamino)ethanol;2-(dimethylamino)ethyl 2-[3-methyl-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;2-[3-methyl-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-1-yl]acetic acid;hydroxide?
The IUPAC name of lithium;2-(dimethylamino)ethanol;2-(dimethylamino)ethyl 2-[3-methyl-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;2-[3-methyl-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-1-yl]acetic acid;hydroxide (CID 159629156) is lithium;2-(dimethylamino)ethanol;2-(dimethylamino)ethyl 2-[3-methyl-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;2-[3-methyl-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-1-yl]acetic acid;hydroxide.
What is the SMILES notation for lithium;2-(dimethylamino)ethanol;2-(dimethylamino)ethyl 2-[3-methyl-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;2-[3-methyl-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-1-yl]acetic acid;hydroxide?
The canonical SMILES for lithium;2-(dimethylamino)ethanol;2-(dimethylamino)ethyl 2-[3-methyl-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;2-[3-methyl-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-1-yl]acetic acid;hydroxide is CCOC(=O)Cn1nc(C)cc1-c1ccc(-c2cccc(S(C)(=O)=O)c2)s1.CN(C)CCO.Cc1cc(-c2ccc(-c3cccc(S(C)(=O)=O)c3)s2)n(CC(=O)O)n1.Cc1cc(-c2ccc(-c3cccc(S(C)(=O)=O)c3)s2)n(CC(=O)OCCN(C)C)n1.[Li+].[OH-].
What is the InChIKey of lithium;2-(dimethylamino)ethanol;2-(dimethylamino)ethyl 2-[3-methyl-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;2-[3-methyl-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-1-yl]acetic acid;hydroxide?
The InChIKey is MOWWPGDQTVWOLA-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H25N3O4S2.C19H20N2O4S2.C17H16N2O4S2.C4H11NO.Li.H2O/c1-15-12-18(24(22-15)14-21(25)28-11-10-23(2)3)20-9-8-19(29-20)16-6-5-7-17(13-16)30(4,26)27;1-4-25-19(22)12-21-16(10-13(2)20-21)18-9-8-17(26-18)14-6-5-7-15(11-14)27(3,23)24;1-11-8-14(19(18-11)10-17(20)21)16-7-6-15(24-16)12-4-3-5-13(9-12)25(2,22)23;1-5(2)3-4-6;;/h5-9,12-13H,10-11,14H2,1-4H3;5-11H,4,12H2,1-3H3;3-9H,10H2,1-2H3,(H,20,21);6H,3-4H2,1-2H3;;1H2/q;;;;+1;/p-1.
What are the key properties of lithium;2-(dimethylamino)ethanol;2-(dimethylamino)ethyl 2-[3-methyl-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;2-[3-methyl-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-1-yl]acetic acid;hydroxide?
lithium;2-(dimethylamino)ethanol;2-(dimethylamino)ethyl 2-[3-methyl-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;2-[3-methyl-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-1-yl]acetic acid;hydroxide has a molecular weight of 1341.64 g/mol, XLogP of 6.09, 21 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;2-(dimethylamino)ethanol;2-(dimethylamino)ethyl 2-[3-methyl-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-1-yl]acetate;2-[3-methyl-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-1-yl]acetic acid;hydroxide is sourced from PubChem (CID 159629156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).