4-bromo-1H-pyrazol-5-amine;tert-butyl 4-(3-amino-4-bromopyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-(4-bromo-3-chloropyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-[3-chloro-4-[[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[3-chloro-5-[[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-methylsulfonyloxypiperidine-1-carboxylate;6-(chloromethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;[3-chloro-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-5-yl]boronic acid;6-[(3-chloro-1-piperidin-4-ylpyrazol-5-yl)methyl]-1H-benzo[cd]indol-2-one;trimethyl borate

C162H200B2Br3Cl6N27O27S — CID 167611024

IUPAC4-bromo-1H-pyrazol-5-amine;tert-butyl 4-(3-amino-4-bromopyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-(4-bromo-3-chloropyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-[3-chloro-4-[[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[3-chloro-5-[[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-methylsulfonyloxypiperidine-1-carboxylate;6-(chloromethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;[3-chloro-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-5-yl]boronic acid;6-[(3-chloro-1-piperidin-4-ylpyrazol-5-yl)methyl]-1H-benzo[cd]indol-2-one;trimethyl borate
SMILESCC(C)(C)OC(=O)N1CCC(OS(C)(=O)=O)CC1.CC(C)(C)OC(=O)N1CCC(n2cc(Br)c(Cl)n2)CC1.CC(C)(C)OC(=O)N1CCC(n2cc(Br)c(N)n2)CC1.CC(C)(C)OC(=O)N1CCC(n2nc(Cl)cc2B(O)O)CC1.COB(OC)OC.COc1ccc(CN2C(=O)c3cccc4c(CCl)ccc2c34)cc1.COc1ccc(CN2C(=O)c3cccc4c(Cc5cc(Cl)nn5C5CCN(C(=O)OC(C)(C)C)CC5)ccc2c34)cc1.COc1ccc(CN2C(=O)c3cccc4c(Cc5cn(C6CCN(C(=O)OC(C)(C)C)CC6)nc5Cl)ccc2c34)cc1.Nc1[nH]ncc1Br.O=C1Nc2ccc(Cc3cc(Cl)nn3C3CCNCC3)c3cccc1c23
InChIInChI=1S/2C33H35ClN4O4.C20H19ClN4O.C20H16ClNO2.C13H21BClN3O4.C13H19BrClN3O2.C13H21BrN4O2.C11H21NO5S.C3H9BO3.C3H4BrN3/c1-33(2,3)42-32(40)36-16-14-23(15-17-36)38-24(19-29(34)35-38)18-22-10-13-28-30-26(22)6-5-7-27(30)31(39)37(28)20-21-8-11-25(41-4)12-9-21;1-33(2,3)42-32(40)36-16-14-24(15-17-36)38-20-23(30(34)35-38)18-22-10-13-28-29-26(22)6-5-7-27(29)31(39)37(28)19-21-8-11-25(41-4)12-9-21;21-18-11-14(25(24-18)13-6-8-22-9-7-13)10-12-4-5-17-19-15(12)2-1-3-16(19)20(26)23-17;1-24-15-8-5-13(6-9-15)12-22-18-10-7-14(11-21)16-3-2-4-17(19(16)18)20(22)23;1-13(2,3)22-12(19)17-6-4-9(5-7-17)18-10(14(20)21)8-11(15)16-18;2*1-13(2,3)20-12(19)17-6-4-9(5-7-17)18-8-10(14)11(15)16-18;1-11(2,3)16-10(13)12-7-5-9(6-8-12)17-18(4,14)15;1-5-4(6-2)7-3;4-2-1-6-7-3(2)5/h5-13,19,23H,14-18,20H2,1-4H3;5-13,20,24H,14-19H2,1-4H3;1-5,11,13,22H,6-10H2,(H,23,26);2-10H,11-12H2,1H3;8-9,20-21H,4-7H2,1-3H3;8-9H,4-7H2,1-3H3;8-9H,4-7H2,1-3H3,(H2,15,16);9H,5-8H2,1-4H3;1-3H3;1H,(H3,5,6,7)
InChIKeyLAZRVHPFWFUVDB-UHFFFAOYSA-N
MW3463.66 g/mol
LogP32.05
Rot. Bonds28

About 4-bromo-1H-pyrazol-5-amine;tert-butyl 4-(3-amino-4-bromopyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-(4-bromo-3-chloropyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-[3-chloro-4-[[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[3-chloro-5-[[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-methylsulfonyloxypiperidine-1-carboxylate;6-(chloromethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;[3-chloro-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-5-yl]boronic acid;6-[(3-chloro-1-piperidin-4-ylpyrazol-5-yl)methyl]-1H-benzo[cd]indol-2-one;trimethyl borate

4-bromo-1H-pyrazol-5-amine;tert-butyl 4-(3-amino-4-bromopyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-(4-bromo-3-chloropyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-[3-chloro-4-[[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[3-chloro-5-[[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-methylsulfonyloxypiperidine-1-carboxylate;6-(chloromethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;[3-chloro-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-5-yl]boronic acid;6-[(3-chloro-1-piperidin-4-ylpyrazol-5-yl)methyl]-1H-benzo[cd]indol-2-one;trimethyl borate (PubChem CID 167611024) has the molecular formula C162H200B2Br3Cl6N27O27S and a molecular weight of 3463.66 g/mol. Its IUPAC name is 4-bromo-1H-pyrazol-5-amine;tert-butyl 4-(3-amino-4-bromopyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-(4-bromo-3-chloropyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-[3-chloro-4-[[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[3-chloro-5-[[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-methylsulfonyloxypiperidine-1-carboxylate;6-(chloromethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;[3-chloro-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-5-yl]boronic acid;6-[(3-chloro-1-piperidin-4-ylpyrazol-5-yl)methyl]-1H-benzo[cd]indol-2-one;trimethyl borate.

Molecular Properties

Compound Name4-bromo-1H-pyrazol-5-amine;tert-butyl 4-(3-amino-4-bromopyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-(4-bromo-3-chloropyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-[3-chloro-4-[[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[3-chloro-5-[[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-methylsulfonyloxypiperidine-1-carboxylate;6-(chloromethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;[3-chloro-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-5-yl]boronic acid;6-[(3-chloro-1-piperidin-4-ylpyrazol-5-yl)methyl]-1H-benzo[cd]indol-2-one;trimethyl borate
PubChem CID167611024
Molecular FormulaC162H200B2Br3Cl6N27O27S
Molecular Weight3463.66 g/mol
Exact Mass3456.07
IUPAC Name4-bromo-1H-pyrazol-5-amine;tert-butyl 4-(3-amino-4-bromopyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-(4-bromo-3-chloropyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-[3-chloro-4-[[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[3-chloro-5-[[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-methylsulfonyloxypiperidine-1-carboxylate;6-(chloromethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;[3-chloro-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-5-yl]boronic acid;6-[(3-chloro-1-piperidin-4-ylpyrazol-5-yl)methyl]-1H-benzo[cd]indol-2-one;trimethyl borate
SMILESCC(C)(C)OC(=O)N1CCC(OS(C)(=O)=O)CC1.CC(C)(C)OC(=O)N1CCC(n2cc(Br)c(Cl)n2)CC1.CC(C)(C)OC(=O)N1CCC(n2cc(Br)c(N)n2)CC1.CC(C)(C)OC(=O)N1CCC(n2nc(Cl)cc2B(O)O)CC1.COB(OC)OC.COc1ccc(CN2C(=O)c3cccc4c(CCl)ccc2c34)cc1.COc1ccc(CN2C(=O)c3cccc4c(Cc5cc(Cl)nn5C5CCN(C(=O)OC(C)(C)C)CC5)ccc2c34)cc1.COc1ccc(CN2C(=O)c3cccc4c(Cc5cn(C6CCN(C(=O)OC(C)(C)C)CC6)nc5Cl)ccc2c34)cc1.Nc1[nH]ncc1Br.O=C1Nc2ccc(Cc3cc(Cl)nn3C3CCNCC3)c3cccc1c23
InChIInChI=1S/2C33H35ClN4O4.C20H19ClN4O.C20H16ClNO2.C13H21BClN3O4.C13H19BrClN3O2.C13H21BrN4O2.C11H21NO5S.C3H9BO3.C3H4BrN3/c1-33(2,3)42-32(40)36-16-14-23(15-17-36)38-24(19-29(34)35-38)18-22-10-13-28-30-26(22)6-5-7-27(30)31(39)37(28)20-21-8-11-25(41-4)12-9-21;1-33(2,3)42-32(40)36-16-14-24(15-17-36)38-20-23(30(34)35-38)18-22-10-13-28-29-26(22)6-5-7-27(29)31(39)37(28)19-21-8-11-25(41-4)12-9-21;21-18-11-14(25(24-18)13-6-8-22-9-7-13)10-12-4-5-17-19-15(12)2-1-3-16(19)20(26)23-17;1-24-15-8-5-13(6-9-15)12-22-18-10-7-14(11-21)16-3-2-4-17(19(16)18)20(22)23;1-13(2,3)22-12(19)17-6-4-9(5-7-17)18-10(14(20)21)8-11(15)16-18;2*1-13(2,3)20-12(19)17-6-4-9(5-7-17)18-8-10(14)11(15)16-18;1-11(2,3)16-10(13)12-7-5-9(6-8-12)17-18(4,14)15;1-5-4(6-2)7-3;4-2-1-6-7-3(2)5/h5-13,19,23H,14-18,20H2,1-4H3;5-13,20,24H,14-19H2,1-4H3;1-5,11,13,22H,6-10H2,(H,23,26);2-10H,11-12H2,1H3;8-9,20-21H,4-7H2,1-3H3;8-9H,4-7H2,1-3H3;8-9H,4-7H2,1-3H3,(H2,15,16);9H,5-8H2,1-4H3;1-3H3;1H,(H3,5,6,7)
InChIKeyLAZRVHPFWFUVDB-UHFFFAOYSA-N
XLogP32.05
TPSA606.15 Ų
H-Bond Donors7
H-Bond Acceptors43
Rotatable Bonds28
Heavy Atoms228
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003463.66
LogP ≤ 532.05
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze 4-bromo-1H-pyrazol-5-amine;tert-butyl 4-(3-amino-4-bromopyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-(4-bromo-3-chloropyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-[3-chloro-4-[[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[3-chloro-5-[[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-methylsulfonyloxypiperidine-1-carboxylate;6-(chloromethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;[3-chloro-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-5-yl]boronic acid;6-[(3-chloro-1-piperidin-4-ylpyrazol-5-yl)methyl]-1H-benzo[cd]indol-2-one;trimethyl borate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1H-pyrazol-5-amine;tert-butyl 4-(3-amino-4-bromopyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-(4-bromo-3-chloropyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-[3-chloro-4-[[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[3-chloro-5-[[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-methylsulfonyloxypiperidine-1-carboxylate;6-(chloromethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;[3-chloro-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-5-yl]boronic acid;6-[(3-chloro-1-piperidin-4-ylpyrazol-5-yl)methyl]-1H-benzo[cd]indol-2-one;trimethyl borate?
The IUPAC name of 4-bromo-1H-pyrazol-5-amine;tert-butyl 4-(3-amino-4-bromopyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-(4-bromo-3-chloropyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-[3-chloro-4-[[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[3-chloro-5-[[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-methylsulfonyloxypiperidine-1-carboxylate;6-(chloromethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;[3-chloro-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-5-yl]boronic acid;6-[(3-chloro-1-piperidin-4-ylpyrazol-5-yl)methyl]-1H-benzo[cd]indol-2-one;trimethyl borate (CID 167611024) is 4-bromo-1H-pyrazol-5-amine;tert-butyl 4-(3-amino-4-bromopyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-(4-bromo-3-chloropyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-[3-chloro-4-[[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[3-chloro-5-[[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-methylsulfonyloxypiperidine-1-carboxylate;6-(chloromethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;[3-chloro-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-5-yl]boronic acid;6-[(3-chloro-1-piperidin-4-ylpyrazol-5-yl)methyl]-1H-benzo[cd]indol-2-one;trimethyl borate.
What is the SMILES notation for 4-bromo-1H-pyrazol-5-amine;tert-butyl 4-(3-amino-4-bromopyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-(4-bromo-3-chloropyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-[3-chloro-4-[[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[3-chloro-5-[[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-methylsulfonyloxypiperidine-1-carboxylate;6-(chloromethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;[3-chloro-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-5-yl]boronic acid;6-[(3-chloro-1-piperidin-4-ylpyrazol-5-yl)methyl]-1H-benzo[cd]indol-2-one;trimethyl borate?
The canonical SMILES for 4-bromo-1H-pyrazol-5-amine;tert-butyl 4-(3-amino-4-bromopyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-(4-bromo-3-chloropyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-[3-chloro-4-[[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[3-chloro-5-[[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-methylsulfonyloxypiperidine-1-carboxylate;6-(chloromethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;[3-chloro-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-5-yl]boronic acid;6-[(3-chloro-1-piperidin-4-ylpyrazol-5-yl)methyl]-1H-benzo[cd]indol-2-one;trimethyl borate is CC(C)(C)OC(=O)N1CCC(OS(C)(=O)=O)CC1.CC(C)(C)OC(=O)N1CCC(n2cc(Br)c(Cl)n2)CC1.CC(C)(C)OC(=O)N1CCC(n2cc(Br)c(N)n2)CC1.CC(C)(C)OC(=O)N1CCC(n2nc(Cl)cc2B(O)O)CC1.COB(OC)OC.COc1ccc(CN2C(=O)c3cccc4c(CCl)ccc2c34)cc1.COc1ccc(CN2C(=O)c3cccc4c(Cc5cc(Cl)nn5C5CCN(C(=O)OC(C)(C)C)CC5)ccc2c34)cc1.COc1ccc(CN2C(=O)c3cccc4c(Cc5cn(C6CCN(C(=O)OC(C)(C)C)CC6)nc5Cl)ccc2c34)cc1.Nc1[nH]ncc1Br.O=C1Nc2ccc(Cc3cc(Cl)nn3C3CCNCC3)c3cccc1c23.
What is the InChIKey of 4-bromo-1H-pyrazol-5-amine;tert-butyl 4-(3-amino-4-bromopyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-(4-bromo-3-chloropyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-[3-chloro-4-[[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[3-chloro-5-[[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-methylsulfonyloxypiperidine-1-carboxylate;6-(chloromethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;[3-chloro-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-5-yl]boronic acid;6-[(3-chloro-1-piperidin-4-ylpyrazol-5-yl)methyl]-1H-benzo[cd]indol-2-one;trimethyl borate?
The InChIKey is LAZRVHPFWFUVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C33H35ClN4O4.C20H19ClN4O.C20H16ClNO2.C13H21BClN3O4.C13H19BrClN3O2.C13H21BrN4O2.C11H21NO5S.C3H9BO3.C3H4BrN3/c1-33(2,3)42-32(40)36-16-14-23(15-17-36)38-24(19-29(34)35-38)18-22-10-13-28-30-26(22)6-5-7-27(30)31(39)37(28)20-21-8-11-25(41-4)12-9-21;1-33(2,3)42-32(40)36-16-14-24(15-17-36)38-20-23(30(34)35-38)18-22-10-13-28-29-26(22)6-5-7-27(29)31(39)37(28)19-21-8-11-25(41-4)12-9-21;21-18-11-14(25(24-18)13-6-8-22-9-7-13)10-12-4-5-17-19-15(12)2-1-3-16(19)20(26)23-17;1-24-15-8-5-13(6-9-15)12-22-18-10-7-14(11-21)16-3-2-4-17(19(16)18)20(22)23;1-13(2,3)22-12(19)17-6-4-9(5-7-17)18-10(14(20)21)8-11(15)16-18;2*1-13(2,3)20-12(19)17-6-4-9(5-7-17)18-8-10(14)11(15)16-18;1-11(2,3)16-10(13)12-7-5-9(6-8-12)17-18(4,14)15;1-5-4(6-2)7-3;4-2-1-6-7-3(2)5/h5-13,19,23H,14-18,20H2,1-4H3;5-13,20,24H,14-19H2,1-4H3;1-5,11,13,22H,6-10H2,(H,23,26);2-10H,11-12H2,1H3;8-9,20-21H,4-7H2,1-3H3;8-9H,4-7H2,1-3H3;8-9H,4-7H2,1-3H3,(H2,15,16);9H,5-8H2,1-4H3;1-3H3;1H,(H3,5,6,7).
What are the key properties of 4-bromo-1H-pyrazol-5-amine;tert-butyl 4-(3-amino-4-bromopyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-(4-bromo-3-chloropyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-[3-chloro-4-[[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[3-chloro-5-[[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-methylsulfonyloxypiperidine-1-carboxylate;6-(chloromethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;[3-chloro-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-5-yl]boronic acid;6-[(3-chloro-1-piperidin-4-ylpyrazol-5-yl)methyl]-1H-benzo[cd]indol-2-one;trimethyl borate?
4-bromo-1H-pyrazol-5-amine;tert-butyl 4-(3-amino-4-bromopyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-(4-bromo-3-chloropyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-[3-chloro-4-[[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[3-chloro-5-[[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-methylsulfonyloxypiperidine-1-carboxylate;6-(chloromethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;[3-chloro-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-5-yl]boronic acid;6-[(3-chloro-1-piperidin-4-ylpyrazol-5-yl)methyl]-1H-benzo[cd]indol-2-one;trimethyl borate has a molecular weight of 3463.66 g/mol, XLogP of 32.05, 28 rotatable bonds, 7 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1H-pyrazol-5-amine;tert-butyl 4-(3-amino-4-bromopyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-(4-bromo-3-chloropyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-[3-chloro-4-[[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[3-chloro-5-[[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-methylsulfonyloxypiperidine-1-carboxylate;6-(chloromethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;[3-chloro-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-5-yl]boronic acid;6-[(3-chloro-1-piperidin-4-ylpyrazol-5-yl)methyl]-1H-benzo[cd]indol-2-one;trimethyl borate is sourced from PubChem (CID 167611024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).