About dilithium;4-[[3-[1-(6-aminohexyl)pyrazol-4-yl]benzoyl]amino]-1-(oxan-4-yl)pyrazole-3-carboxylate;3-bromobenzoic acid;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole-2-carboxylate;methane;methanol;methyl 4-[[3-[1-(6-aminohexyl)pyrazol-4-yl]benzoyl]amino]-1-(oxan-4-yl)pyrazole-3-carboxylate;methyl 4-amino-1-(oxan-4-yl)pyrazole-3-carboxylate;methyl 4-[(3-bromobenzoyl)amino]-1-(oxan-4-yl)pyrazole-3-carboxylate;methyl 4-[[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-4-yl]benzoyl]amino]-1-(oxan-4-yl)pyrazole-3-carboxylate;methyl 1-(oxan-4-yl)-4-[[3-(1H-pyrazol-4-yl)benzoyl]amino]pyrazole-3-carboxylate;6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl methanesulfonate;16-(oxan-4-yl)-4,5,12,15,16,19-hexazatetracyclo[19.3.1.12,5.014,18]hexacosa-1(25),2(26),3,14,17,21,23-heptaene-13,20-dione;oxolan-2-ol;hydroxide
dilithium;4-[[3-[1-(6-aminohexyl)pyrazol-4-yl]benzoyl]amino]-1-(oxan-4-yl)pyrazole-3-carboxylate;3-bromobenzoic acid;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole-2-carboxylate;methane;methanol;methyl 4-[[3-[1-(6-aminohexyl)pyrazol-4-yl]benzoyl]amino]-1-(oxan-4-yl)pyrazole-3-carboxylate;methyl 4-amino-1-(oxan-4-yl)pyrazole-3-carboxylate;methyl 4-[(3-bromobenzoyl)amino]-1-(oxan-4-yl)pyrazole-3-carboxylate;methyl 4-[[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-4-yl]benzoyl]amino]-1-(oxan-4-yl)pyrazole-3-carboxylate;methyl 1-(oxan-4-yl)-4-[[3-(1H-pyrazol-4-yl)benzoyl]amino]pyrazole-3-carboxylate;6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl methanesulfonate;16-(oxan-4-yl)-4,5,12,15,16,19-hexazatetracyclo[19.3.1.12,5.014,18]hexacosa-1(25),2(26),3,14,17,21,23-heptaene-13,20-dione;oxolan-2-ol;hydroxide (PubChem CID 158111198) has the molecular formula C188H249BBr2Li2N36O43S
and a molecular weight of 3917.84 g/mol. Its IUPAC name is dilithium;4-[[3-[1-(6-aminohexyl)pyrazol-4-yl]benzoyl]amino]-1-(oxan-4-yl)pyrazole-3-carboxylate;3-bromobenzoic acid;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole-2-carboxylate;methane;methanol;methyl 4-[[3-[1-(6-aminohexyl)pyrazol-4-yl]benzoyl]amino]-1-(oxan-4-yl)pyrazole-3-carboxylate;methyl 4-amino-1-(oxan-4-yl)pyrazole-3-carboxylate;methyl 4-[(3-bromobenzoyl)amino]-1-(oxan-4-yl)pyrazole-3-carboxylate;methyl 4-[[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-4-yl]benzoyl]amino]-1-(oxan-4-yl)pyrazole-3-carboxylate;methyl 1-(oxan-4-yl)-4-[[3-(1H-pyrazol-4-yl)benzoyl]amino]pyrazole-3-carboxylate;6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl methanesulfonate;16-(oxan-4-yl)-4,5,12,15,16,19-hexazatetracyclo[19.3.1.12,5.014,18]hexacosa-1(25),2(26),3,14,17,21,23-heptaene-13,20-dione;oxolan-2-ol;hydroxide.
Frequently Asked Questions
What is the IUPAC name of dilithium;4-[[3-[1-(6-aminohexyl)pyrazol-4-yl]benzoyl]amino]-1-(oxan-4-yl)pyrazole-3-carboxylate;3-bromobenzoic acid;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole-2-carboxylate;methane;methanol;methyl 4-[[3-[1-(6-aminohexyl)pyrazol-4-yl]benzoyl]amino]-1-(oxan-4-yl)pyrazole-3-carboxylate;methyl 4-amino-1-(oxan-4-yl)pyrazole-3-carboxylate;methyl 4-[(3-bromobenzoyl)amino]-1-(oxan-4-yl)pyrazole-3-carboxylate;methyl 4-[[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-4-yl]benzoyl]amino]-1-(oxan-4-yl)pyrazole-3-carboxylate;methyl 1-(oxan-4-yl)-4-[[3-(1H-pyrazol-4-yl)benzoyl]amino]pyrazole-3-carboxylate;6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl methanesulfonate;16-(oxan-4-yl)-4,5,12,15,16,19-hexazatetracyclo[19.3.1.12,5.014,18]hexacosa-1(25),2(26),3,14,17,21,23-heptaene-13,20-dione;oxolan-2-ol;hydroxide?
The IUPAC name of dilithium;4-[[3-[1-(6-aminohexyl)pyrazol-4-yl]benzoyl]amino]-1-(oxan-4-yl)pyrazole-3-carboxylate;3-bromobenzoic acid;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole-2-carboxylate;methane;methanol;methyl 4-[[3-[1-(6-aminohexyl)pyrazol-4-yl]benzoyl]amino]-1-(oxan-4-yl)pyrazole-3-carboxylate;methyl 4-amino-1-(oxan-4-yl)pyrazole-3-carboxylate;methyl 4-[(3-bromobenzoyl)amino]-1-(oxan-4-yl)pyrazole-3-carboxylate;methyl 4-[[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-4-yl]benzoyl]amino]-1-(oxan-4-yl)pyrazole-3-carboxylate;methyl 1-(oxan-4-yl)-4-[[3-(1H-pyrazol-4-yl)benzoyl]amino]pyrazole-3-carboxylate;6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl methanesulfonate;16-(oxan-4-yl)-4,5,12,15,16,19-hexazatetracyclo[19.3.1.12,5.014,18]hexacosa-1(25),2(26),3,14,17,21,23-heptaene-13,20-dione;oxolan-2-ol;hydroxide (CID 158111198) is dilithium;4-[[3-[1-(6-aminohexyl)pyrazol-4-yl]benzoyl]amino]-1-(oxan-4-yl)pyrazole-3-carboxylate;3-bromobenzoic acid;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole-2-carboxylate;methane;methanol;methyl 4-[[3-[1-(6-aminohexyl)pyrazol-4-yl]benzoyl]amino]-1-(oxan-4-yl)pyrazole-3-carboxylate;methyl 4-amino-1-(oxan-4-yl)pyrazole-3-carboxylate;methyl 4-[(3-bromobenzoyl)amino]-1-(oxan-4-yl)pyrazole-3-carboxylate;methyl 4-[[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-4-yl]benzoyl]amino]-1-(oxan-4-yl)pyrazole-3-carboxylate;methyl 1-(oxan-4-yl)-4-[[3-(1H-pyrazol-4-yl)benzoyl]amino]pyrazole-3-carboxylate;6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl methanesulfonate;16-(oxan-4-yl)-4,5,12,15,16,19-hexazatetracyclo[19.3.1.12,5.014,18]hexacosa-1(25),2(26),3,14,17,21,23-heptaene-13,20-dione;oxolan-2-ol;hydroxide.
What is the SMILES notation for dilithium;4-[[3-[1-(6-aminohexyl)pyrazol-4-yl]benzoyl]amino]-1-(oxan-4-yl)pyrazole-3-carboxylate;3-bromobenzoic acid;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole-2-carboxylate;methane;methanol;methyl 4-[[3-[1-(6-aminohexyl)pyrazol-4-yl]benzoyl]amino]-1-(oxan-4-yl)pyrazole-3-carboxylate;methyl 4-amino-1-(oxan-4-yl)pyrazole-3-carboxylate;methyl 4-[(3-bromobenzoyl)amino]-1-(oxan-4-yl)pyrazole-3-carboxylate;methyl 4-[[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-4-yl]benzoyl]amino]-1-(oxan-4-yl)pyrazole-3-carboxylate;methyl 1-(oxan-4-yl)-4-[[3-(1H-pyrazol-4-yl)benzoyl]amino]pyrazole-3-carboxylate;6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl methanesulfonate;16-(oxan-4-yl)-4,5,12,15,16,19-hexazatetracyclo[19.3.1.12,5.014,18]hexacosa-1(25),2(26),3,14,17,21,23-heptaene-13,20-dione;oxolan-2-ol;hydroxide?
The canonical SMILES for dilithium;4-[[3-[1-(6-aminohexyl)pyrazol-4-yl]benzoyl]amino]-1-(oxan-4-yl)pyrazole-3-carboxylate;3-bromobenzoic acid;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole-2-carboxylate;methane;methanol;methyl 4-[[3-[1-(6-aminohexyl)pyrazol-4-yl]benzoyl]amino]-1-(oxan-4-yl)pyrazole-3-carboxylate;methyl 4-amino-1-(oxan-4-yl)pyrazole-3-carboxylate;methyl 4-[(3-bromobenzoyl)amino]-1-(oxan-4-yl)pyrazole-3-carboxylate;methyl 4-[[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-4-yl]benzoyl]amino]-1-(oxan-4-yl)pyrazole-3-carboxylate;methyl 1-(oxan-4-yl)-4-[[3-(1H-pyrazol-4-yl)benzoyl]amino]pyrazole-3-carboxylate;6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl methanesulfonate;16-(oxan-4-yl)-4,5,12,15,16,19-hexazatetracyclo[19.3.1.12,5.014,18]hexacosa-1(25),2(26),3,14,17,21,23-heptaene-13,20-dione;oxolan-2-ol;hydroxide is C.CC(C)(C)OC(=O)C1C=C(B2OC(C)(C)C(C)(C)O2)C=N1.CC(C)(C)OC(=O)NCCCCCCOS(C)(=O)=O.CO.COC(=O)c1nn(C2CCOCC2)cc1N.COC(=O)c1nn(C2CCOCC2)cc1NC(=O)c1cccc(-c2cn[nH]c2)c1.COC(=O)c1nn(C2CCOCC2)cc1NC(=O)c1cccc(-c2cnn(C(=O)OC(C)(C)C)c2)c1.COC(=O)c1nn(C2CCOCC2)cc1NC(=O)c1cccc(-c2cnn(CCCCCCN)c2)c1.COC(=O)c1nn(C2CCOCC2)cc1NC(=O)c1cccc(Br)c1.NCCCCCCn1cc(-c2cccc(C(=O)Nc3cn(C4CCOCC4)nc3C(=O)[O-])c2)cn1.O=C(O)c1cccc(Br)c1.O=C1Nc2cn(C3CCOCC3)nc2C(=O)NCCCCCCn2cc(cn2)-c2cccc1c2.OC1CCCO1.[Li+].[Li+].[OH-].
What is the InChIKey of dilithium;4-[[3-[1-(6-aminohexyl)pyrazol-4-yl]benzoyl]amino]-1-(oxan-4-yl)pyrazole-3-carboxylate;3-bromobenzoic acid;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole-2-carboxylate;methane;methanol;methyl 4-[[3-[1-(6-aminohexyl)pyrazol-4-yl]benzoyl]amino]-1-(oxan-4-yl)pyrazole-3-carboxylate;methyl 4-amino-1-(oxan-4-yl)pyrazole-3-carboxylate;methyl 4-[(3-bromobenzoyl)amino]-1-(oxan-4-yl)pyrazole-3-carboxylate;methyl 4-[[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-4-yl]benzoyl]amino]-1-(oxan-4-yl)pyrazole-3-carboxylate;methyl 1-(oxan-4-yl)-4-[[3-(1H-pyrazol-4-yl)benzoyl]amino]pyrazole-3-carboxylate;6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl methanesulfonate;16-(oxan-4-yl)-4,5,12,15,16,19-hexazatetracyclo[19.3.1.12,5.014,18]hexacosa-1(25),2(26),3,14,17,21,23-heptaene-13,20-dione;oxolan-2-ol;hydroxide?
The InChIKey is XJUORJXQENVWIW-UHFFFAOYSA-L. The full InChI is InChI=1S/C26H34N6O4.C25H32N6O4.C25H30N6O3.C25H29N5O6.C20H21N5O4.C17H18BrN3O4.C15H24BNO4.C12H25NO5S.C10H15N3O3.C7H5BrO2.C4H8O2.CH4O.CH4.2Li.H2O/c1-35-26(34)24-23(18-32(30-24)22-9-13-36-14-10-22)29-25(33)20-8-6-7-19(15-20)21-16-28-31(17-21)12-5-3-2-4-11-27;26-10-3-1-2-4-11-30-16-20(15-27-30)18-6-5-7-19(14-18)24(32)28-22-17-31(29-23(22)25(33)34)21-8-12-35-13-9-21;32-24-19-7-5-6-18(14-19)20-15-27-30(16-20)11-4-2-1-3-10-26-25(33)23-22(28-24)17-31(29-23)21-8-12-34-13-9-21;1-25(2,3)36-24(33)30-14-18(13-26-30)16-6-5-7-17(12-16)22(31)27-20-15-29(19-8-10-35-11-9-19)28-21(20)23(32)34-4;1-28-20(27)18-17(12-25(24-18)16-5-7-29-8-6-16)23-19(26)14-4-2-3-13(9-14)15-10-21-22-11-15;1-24-17(23)15-14(10-21(20-15)13-5-7-25-8-6-13)19-16(22)11-3-2-4-12(18)9-11;1-13(2,3)19-12(18)11-8-10(9-17-11)16-20-14(4,5)15(6,7)21-16;1-12(2,3)18-11(14)13-9-7-5-6-8-10-17-19(4,15)16;1-15-10(14)9-8(11)6-13(12-9)7-2-4-16-5-3-7;8-6-3-1-2-5(4-6)7(9)10;5-4-2-1-3-6-4;1-2;;;;/h6-8,15-18,22H,2-5,9-14,27H2,1H3,(H,29,33);5-7,14-17,21H,1-4,8-13,26H2,(H,28,32)(H,33,34);5-7,14-17,21H,1-4,8-13H2,(H,26,33)(H,28,32);5-7,12-15,19H,8-11H2,1-4H3,(H,27,31);2-4,9-12,16H,5-8H2,1H3,(H,21,22)(H,23,26);2-4,9-10,13H,5-8H2,1H3,(H,19,22);8-9,11H,1-7H3;5-10H2,1-4H3,(H,13,14);6-7H,2-5,11H2,1H3;1-4H,(H,9,10);4-5H,1-3H2;2H,1H3;1H4;;;1H2/q;;;;;;;;;;;;;2*+1;/p-2.
What are the key properties of dilithium;4-[[3-[1-(6-aminohexyl)pyrazol-4-yl]benzoyl]amino]-1-(oxan-4-yl)pyrazole-3-carboxylate;3-bromobenzoic acid;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole-2-carboxylate;methane;methanol;methyl 4-[[3-[1-(6-aminohexyl)pyrazol-4-yl]benzoyl]amino]-1-(oxan-4-yl)pyrazole-3-carboxylate;methyl 4-amino-1-(oxan-4-yl)pyrazole-3-carboxylate;methyl 4-[(3-bromobenzoyl)amino]-1-(oxan-4-yl)pyrazole-3-carboxylate;methyl 4-[[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-4-yl]benzoyl]amino]-1-(oxan-4-yl)pyrazole-3-carboxylate;methyl 1-(oxan-4-yl)-4-[[3-(1H-pyrazol-4-yl)benzoyl]amino]pyrazole-3-carboxylate;6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl methanesulfonate;16-(oxan-4-yl)-4,5,12,15,16,19-hexazatetracyclo[19.3.1.12,5.014,18]hexacosa-1(25),2(26),3,14,17,21,23-heptaene-13,20-dione;oxolan-2-ol;hydroxide?
dilithium;4-[[3-[1-(6-aminohexyl)pyrazol-4-yl]benzoyl]amino]-1-(oxan-4-yl)pyrazole-3-carboxylate;3-bromobenzoic acid;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole-2-carboxylate;methane;methanol;methyl 4-[[3-[1-(6-aminohexyl)pyrazol-4-yl]benzoyl]amino]-1-(oxan-4-yl)pyrazole-3-carboxylate;methyl 4-amino-1-(oxan-4-yl)pyrazole-3-carboxylate;methyl 4-[(3-bromobenzoyl)amino]-1-(oxan-4-yl)pyrazole-3-carboxylate;methyl 4-[[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-4-yl]benzoyl]amino]-1-(oxan-4-yl)pyrazole-3-carboxylate;methyl 1-(oxan-4-yl)-4-[[3-(1H-pyrazol-4-yl)benzoyl]amino]pyrazole-3-carboxylate;6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl methanesulfonate;16-(oxan-4-yl)-4,5,12,15,16,19-hexazatetracyclo[19.3.1.12,5.014,18]hexacosa-1(25),2(26),3,14,17,21,23-heptaene-13,20-dione;oxolan-2-ol;hydroxide has a molecular weight of 3917.84 g/mol, XLogP of 20.49, 50 rotatable bonds, 15 hydrogen bond donors, and 69 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;4-[[3-[1-(6-aminohexyl)pyrazol-4-yl]benzoyl]amino]-1-(oxan-4-yl)pyrazole-3-carboxylate;3-bromobenzoic acid;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole-2-carboxylate;methane;methanol;methyl 4-[[3-[1-(6-aminohexyl)pyrazol-4-yl]benzoyl]amino]-1-(oxan-4-yl)pyrazole-3-carboxylate;methyl 4-amino-1-(oxan-4-yl)pyrazole-3-carboxylate;methyl 4-[(3-bromobenzoyl)amino]-1-(oxan-4-yl)pyrazole-3-carboxylate;methyl 4-[[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-4-yl]benzoyl]amino]-1-(oxan-4-yl)pyrazole-3-carboxylate;methyl 1-(oxan-4-yl)-4-[[3-(1H-pyrazol-4-yl)benzoyl]amino]pyrazole-3-carboxylate;6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl methanesulfonate;16-(oxan-4-yl)-4,5,12,15,16,19-hexazatetracyclo[19.3.1.12,5.014,18]hexacosa-1(25),2(26),3,14,17,21,23-heptaene-13,20-dione;oxolan-2-ol;hydroxide is sourced from PubChem (CID 158111198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).