4-bromo-1-(4-ethylphenyl)pyrazole;5-bromo-1H-indol-3-amine;4-bromo-1H-pyrazole;tert-butyl N-(5-bromo-1H-indol-3-yl)carbamate;tert-butyl N-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;1-ethyl-4-iodobenzene;bis(1-(4-ethylphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole)

C111H135B2Br4IN16O13 — CID 163634708

IUPAC4-bromo-1-(4-ethylphenyl)pyrazole;5-bromo-1H-indol-3-amine;4-bromo-1H-pyrazole;tert-butyl N-(5-bromo-1H-indol-3-yl)carbamate;tert-butyl N-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;1-ethyl-4-iodobenzene;bis(1-(4-ethylphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole)
SMILESBrc1cn[nH]c1.CC(C)(C)OC(=O)Nc1c[nH]c2ccc(Br)cc12.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CCc1ccc(-n2cc(-c3ccc4[nH]cc(NC(=O)OC(C)(C)C)c4c3)cn2)cc1.CCc1ccc(-n2cc(B3OC(C)(C)C(C)(C)O3)cn2)cc1.CCc1ccc(-n2cc(B3OC(C)(C)C(C)(C)O3)cn2)cc1.CCc1ccc(-n2cc(Br)cn2)cc1.CCc1ccc(I)cc1.Nc1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C24H26N4O2.2C17H23BN2O2.C13H15BrN2O2.C11H11BrN2.C10H18O5.C8H7BrN2.C8H9I.C3H3BrN2/c1-5-16-6-9-19(10-7-16)28-15-18(13-26-28)17-8-11-21-20(12-17)22(14-25-21)27-23(29)30-24(2,3)4;2*1-6-13-7-9-15(10-8-13)20-12-14(11-19-20)18-21-16(2,3)17(4,5)22-18;1-13(2,3)18-12(17)16-11-7-15-10-5-4-8(14)6-9(10)11;1-2-9-3-5-11(6-4-9)14-8-10(12)7-13-14;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;9-5-1-2-8-6(3-5)7(10)4-11-8;1-2-7-3-5-8(9)6-4-7;4-3-1-5-6-2-3/h6-15,25H,5H2,1-4H3,(H,27,29);2*7-12H,6H2,1-5H3;4-7,15H,1-3H3,(H,16,17);3-8H,2H2,1H3;1-6H3;1-4,11H,10H2;3-6H,2H2,1H3;1-2H,(H,5,6)
InChIKeyHZCDLINZKYQPFN-UHFFFAOYSA-N
MW2369.54 g/mol
LogP28.28
Rot. Bonds14

About 4-bromo-1-(4-ethylphenyl)pyrazole;5-bromo-1H-indol-3-amine;4-bromo-1H-pyrazole;tert-butyl N-(5-bromo-1H-indol-3-yl)carbamate;tert-butyl N-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;1-ethyl-4-iodobenzene;bis(1-(4-ethylphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole)

4-bromo-1-(4-ethylphenyl)pyrazole;5-bromo-1H-indol-3-amine;4-bromo-1H-pyrazole;tert-butyl N-(5-bromo-1H-indol-3-yl)carbamate;tert-butyl N-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;1-ethyl-4-iodobenzene;bis(1-(4-ethylphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole) (PubChem CID 163634708) has the molecular formula C111H135B2Br4IN16O13 and a molecular weight of 2369.54 g/mol. Its IUPAC name is 4-bromo-1-(4-ethylphenyl)pyrazole;5-bromo-1H-indol-3-amine;4-bromo-1H-pyrazole;tert-butyl N-(5-bromo-1H-indol-3-yl)carbamate;tert-butyl N-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;1-ethyl-4-iodobenzene;bis(1-(4-ethylphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole).

Molecular Properties

Compound Name4-bromo-1-(4-ethylphenyl)pyrazole;5-bromo-1H-indol-3-amine;4-bromo-1H-pyrazole;tert-butyl N-(5-bromo-1H-indol-3-yl)carbamate;tert-butyl N-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;1-ethyl-4-iodobenzene;bis(1-(4-ethylphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole)
PubChem CID163634708
Molecular FormulaC111H135B2Br4IN16O13
Molecular Weight2369.54 g/mol
Exact Mass2364.64
IUPAC Name4-bromo-1-(4-ethylphenyl)pyrazole;5-bromo-1H-indol-3-amine;4-bromo-1H-pyrazole;tert-butyl N-(5-bromo-1H-indol-3-yl)carbamate;tert-butyl N-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;1-ethyl-4-iodobenzene;bis(1-(4-ethylphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole)
SMILESBrc1cn[nH]c1.CC(C)(C)OC(=O)Nc1c[nH]c2ccc(Br)cc12.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CCc1ccc(-n2cc(-c3ccc4[nH]cc(NC(=O)OC(C)(C)C)c4c3)cn2)cc1.CCc1ccc(-n2cc(B3OC(C)(C)C(C)(C)O3)cn2)cc1.CCc1ccc(-n2cc(B3OC(C)(C)C(C)(C)O3)cn2)cc1.CCc1ccc(-n2cc(Br)cn2)cc1.CCc1ccc(I)cc1.Nc1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C24H26N4O2.2C17H23BN2O2.C13H15BrN2O2.C11H11BrN2.C10H18O5.C8H7BrN2.C8H9I.C3H3BrN2/c1-5-16-6-9-19(10-7-16)28-15-18(13-26-28)17-8-11-21-20(12-17)22(14-25-21)27-23(29)30-24(2,3)4;2*1-6-13-7-9-15(10-8-13)20-12-14(11-19-20)18-21-16(2,3)17(4,5)22-18;1-13(2,3)18-12(17)16-11-7-15-10-5-4-8(14)6-9(10)11;1-2-9-3-5-11(6-4-9)14-8-10(12)7-13-14;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;9-5-1-2-8-6(3-5)7(10)4-11-8;1-2-7-3-5-8(9)6-4-7;4-3-1-5-6-2-3/h6-15,25H,5H2,1-4H3,(H,27,29);2*7-12H,6H2,1-5H3;4-7,15H,1-3H3,(H,16,17);3-8H,2H2,1H3;1-6H3;1-4,11H,10H2;3-6H,2H2,1H3;1-2H,(H,5,6)
InChIKeyHZCDLINZKYQPFN-UHFFFAOYSA-N
XLogP28.28
TPSA348.76 Ų
H-Bond Donors7
H-Bond Acceptors23
Rotatable Bonds14
Heavy Atoms147
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002369.54
LogP ≤ 528.28
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 4-bromo-1-(4-ethylphenyl)pyrazole;5-bromo-1H-indol-3-amine;4-bromo-1H-pyrazole;tert-butyl N-(5-bromo-1H-indol-3-yl)carbamate;tert-butyl N-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;1-ethyl-4-iodobenzene;bis(1-(4-ethylphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole) 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

5-bromo-1H-indol-3-amine;bis(1-(5-bromo-1H-indol-3-yl)-3-methylurea);N-methylcarbamoyl chloride;1-methyl-3-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]urea;[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]boronic acid
CID 167563699
1-(5-bromo-1H-indol-3-yl)-3-(2,2,2-trifluoroethyl)urea;1-[5-[1-(4-methylphenyl)pyrazol-4-yl]-1H-indol-3-yl]-3-(2,2,2-trifluoroethyl)urea;1-(4-methylphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CID 167569064
5-bromo-1H-indol-3-amine;1-(5-bromo-1H-indol-3-yl)-6,6,6-trifluorohexan-2-one;1-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]-6,6,6-trifluorohexan-2-one;1-(4-ethylphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;3,3,3-trifluoropropan-1-amine
CID 167705543
4-bromo-2-iodoaniline;4-bromo-2-[2-(4-methyl-3-pyridinyl)ethynyl]aniline;5-bromo-2-(4-methyl-3-pyridinyl)-1H-indole;5-(1-ethyl-3-pyrazin-2-ylpyrazol-5-yl)-2-(4-methyl-3-pyridinyl)-1H-indole;3-ethynyl-4-methylpyridine;2-(4-methyl-3-pyridinyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
CID 160271762
(1R)-N-benzyl-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-amine;bis((1R)-N-benzyl-6-(1H-pyrazol-4-yl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine);tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate
CID 163813247
5-bromo-1H-indol-3-amine;1-(5-bromo-1H-indol-3-yl)-3-tert-butylurea;tert-butyl N-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-amine;1-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]-3-(2-methoxyethyl)urea;1-(4-ethylphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;methane;2-methoxyethanamine
CID 167598999
1-(5-bromo-1H-indol-3-yl)-3-methylurea;1-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]-3-methylurea;1-(4-ethylphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CID 167644208
tert-butyl N-(5-bromo-1H-indol-3-yl)carbamate;tert-butyl N-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]carbamate
CID 175753521

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(4-ethylphenyl)pyrazole;5-bromo-1H-indol-3-amine;4-bromo-1H-pyrazole;tert-butyl N-(5-bromo-1H-indol-3-yl)carbamate;tert-butyl N-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;1-ethyl-4-iodobenzene;bis(1-(4-ethylphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole)?
The IUPAC name of 4-bromo-1-(4-ethylphenyl)pyrazole;5-bromo-1H-indol-3-amine;4-bromo-1H-pyrazole;tert-butyl N-(5-bromo-1H-indol-3-yl)carbamate;tert-butyl N-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;1-ethyl-4-iodobenzene;bis(1-(4-ethylphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole) (CID 163634708) is 4-bromo-1-(4-ethylphenyl)pyrazole;5-bromo-1H-indol-3-amine;4-bromo-1H-pyrazole;tert-butyl N-(5-bromo-1H-indol-3-yl)carbamate;tert-butyl N-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;1-ethyl-4-iodobenzene;bis(1-(4-ethylphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole).
What is the SMILES notation for 4-bromo-1-(4-ethylphenyl)pyrazole;5-bromo-1H-indol-3-amine;4-bromo-1H-pyrazole;tert-butyl N-(5-bromo-1H-indol-3-yl)carbamate;tert-butyl N-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;1-ethyl-4-iodobenzene;bis(1-(4-ethylphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole)?
The canonical SMILES for 4-bromo-1-(4-ethylphenyl)pyrazole;5-bromo-1H-indol-3-amine;4-bromo-1H-pyrazole;tert-butyl N-(5-bromo-1H-indol-3-yl)carbamate;tert-butyl N-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;1-ethyl-4-iodobenzene;bis(1-(4-ethylphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole) is Brc1cn[nH]c1.CC(C)(C)OC(=O)Nc1c[nH]c2ccc(Br)cc12.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CCc1ccc(-n2cc(-c3ccc4[nH]cc(NC(=O)OC(C)(C)C)c4c3)cn2)cc1.CCc1ccc(-n2cc(B3OC(C)(C)C(C)(C)O3)cn2)cc1.CCc1ccc(-n2cc(B3OC(C)(C)C(C)(C)O3)cn2)cc1.CCc1ccc(-n2cc(Br)cn2)cc1.CCc1ccc(I)cc1.Nc1c[nH]c2ccc(Br)cc12.
What is the InChIKey of 4-bromo-1-(4-ethylphenyl)pyrazole;5-bromo-1H-indol-3-amine;4-bromo-1H-pyrazole;tert-butyl N-(5-bromo-1H-indol-3-yl)carbamate;tert-butyl N-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;1-ethyl-4-iodobenzene;bis(1-(4-ethylphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole)?
The InChIKey is HZCDLINZKYQPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2.2C17H23BN2O2.C13H15BrN2O2.C11H11BrN2.C10H18O5.C8H7BrN2.C8H9I.C3H3BrN2/c1-5-16-6-9-19(10-7-16)28-15-18(13-26-28)17-8-11-21-20(12-17)22(14-25-21)27-23(29)30-24(2,3)4;2*1-6-13-7-9-15(10-8-13)20-12-14(11-19-20)18-21-16(2,3)17(4,5)22-18;1-13(2,3)18-12(17)16-11-7-15-10-5-4-8(14)6-9(10)11;1-2-9-3-5-11(6-4-9)14-8-10(12)7-13-14;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;9-5-1-2-8-6(3-5)7(10)4-11-8;1-2-7-3-5-8(9)6-4-7;4-3-1-5-6-2-3/h6-15,25H,5H2,1-4H3,(H,27,29);2*7-12H,6H2,1-5H3;4-7,15H,1-3H3,(H,16,17);3-8H,2H2,1H3;1-6H3;1-4,11H,10H2;3-6H,2H2,1H3;1-2H,(H,5,6).
What are the key properties of 4-bromo-1-(4-ethylphenyl)pyrazole;5-bromo-1H-indol-3-amine;4-bromo-1H-pyrazole;tert-butyl N-(5-bromo-1H-indol-3-yl)carbamate;tert-butyl N-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;1-ethyl-4-iodobenzene;bis(1-(4-ethylphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole)?
4-bromo-1-(4-ethylphenyl)pyrazole;5-bromo-1H-indol-3-amine;4-bromo-1H-pyrazole;tert-butyl N-(5-bromo-1H-indol-3-yl)carbamate;tert-butyl N-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;1-ethyl-4-iodobenzene;bis(1-(4-ethylphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole) has a molecular weight of 2369.54 g/mol, XLogP of 28.28, 14 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(4-ethylphenyl)pyrazole;5-bromo-1H-indol-3-amine;4-bromo-1H-pyrazole;tert-butyl N-(5-bromo-1H-indol-3-yl)carbamate;tert-butyl N-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;1-ethyl-4-iodobenzene;bis(1-(4-ethylphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole) is sourced from PubChem (CID 163634708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).