5-bromo-1-phenylpyrazole;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenylpyrazol-3-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;N',N'-diethylethane-1,2-diamine;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(2-phenylpyrazol-3-yl)-1H-indol-2-one;2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenylpyrazol-3-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid;5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid;1-methylpiperazine;5-(2-phenylpyrazol-3-yl)-1,3-dihydroindol-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one

C145H159BBrN27O14 — CID 158154180

About 5-bromo-1-phenylpyrazole;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenylpyrazol-3-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;N',N'-diethylethane-1,2-diamine;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(2-phenylpyrazol-3-yl)-1H-indol-2-one;2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenylpyrazol-3-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid;5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid;1-methylpiperazine;5-(2-phenylpyrazol-3-yl)-1,3-dihydroindol-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one

5-bromo-1-phenylpyrazole;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenylpyrazol-3-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;N',N'-diethylethane-1,2-diamine;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(2-phenylpyrazol-3-yl)-1H-indol-2-one;2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenylpyrazol-3-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid;5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid;1-methylpiperazine;5-(2-phenylpyrazol-3-yl)-1,3-dihydroindol-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one (PubChem CID 158154180) has the molecular formula C145H159BBrN27O14 and a molecular weight of 2594.76 g/mol. Its IUPAC name is 5-bromo-1-phenylpyrazole;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenylpyrazol-3-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;N',N'-diethylethane-1,2-diamine;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(2-phenylpyrazol-3-yl)-1H-indol-2-one;2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenylpyrazol-3-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid;5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid;1-methylpiperazine;5-(2-phenylpyrazol-3-yl)-1,3-dihydroindol-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one.

Molecular Properties

• Compound Name: 5-bromo-1-phenylpyrazole;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenylpyrazol-3-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;N',N'-diethylethane-1,2-diamine;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(2-phenylpyrazol-3-yl)-1H-indol-2-one;2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenylpyrazol-3-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid;5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid;1-methylpiperazine;5-(2-phenylpyrazol-3-yl)-1,3-dihydroindol-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one
• PubChem CID: 158154180
• Molecular Formula: C145H159BBrN27O14
• Molecular Weight: 2594.76 g/mol
• Exact Mass: 2592.18
• IUPAC Name: 5-bromo-1-phenylpyrazole;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenylpyrazol-3-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;N',N'-diethylethane-1,2-diamine;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(2-phenylpyrazol-3-yl)-1H-indol-2-one;2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenylpyrazol-3-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid;5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid;1-methylpiperazine;5-(2-phenylpyrazol-3-yl)-1,3-dihydroindol-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one
• SMILES: Brc1ccnn1-c1ccccc1.CC1(C)OB(c2ccc3c(c2)CC(=O)N3)OC1(C)C.CCN(CC)CCN.CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4ccnn4-c4ccccc4)cc32)c1C.CN1CCNCC1.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(-c4ccnn4-c4ccccc4)cc32)c(C)c1C(=O)N1CCN(C)CC1.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(-c4ccnn4-c4ccccc4)cc32)c(C)c1C(=O)O.Cc1[nH]c(C=O)c(C)c1C(=O)O.O=C1Cc2cc(-c3ccnn3-c3ccccc3)ccc2N1
• InChI: InChI=1S/C31H34N6O2.C30H30N6O2.C25H20N4O3.C17H13N3O.C14H18BNO3.C9H7BrN2.C8H9NO3.C6H16N2.C5H12N2/c1-5-36(6-2)17-16-32-31(39)29-20(3)27(34-21(29)4)19-25-24-18-22(12-13-26(24)35-30(25)38)28-14-15-33-37(28)23-10-8-7-9-11-23;1-19-26(32-20(2)28(19)30(38)35-15-13-34(3)14-16-35)18-24-23-17-21(9-10-25(23)33-29(24)37)27-11-12-31-36(27)22-7-5-4-6-8-22;1-14-21(27-15(2)23(14)25(31)32)13-19-18-12-16(8-9-20(18)28-24(19)30)22-10-11-26-29(22)17-6-4-3-5-7-17;21-17-11-13-10-12(6-7-15(13)19-17)16-8-9-18-20(16)14-4-2-1-3-5-14;1-13(2)14(3,4)19-15(18-13)10-5-6-11-9(7-10)8-12(17)16-11;10-9-6-7-11-12(9)8-4-2-1-3-5-8;1-4-6(3-10)9-5(2)7(4)8(11)12;1-3-8(4-2)6-5-7;1-7-4-2-6-3-5-7/h7-15,18-19,34H,5-6,16-17H2,1-4H3,(H,32,39)(H,35,38);4-12,17-18,32H,13-16H2,1-3H3,(H,33,37);3-13,27H,1-2H3,(H,28,30)(H,31,32);1-10H,11H2,(H,19,21);5-7H,8H2,1-4H3,(H,16,17);1-7H;3,9H,1-2H3,(H,11,12);3-7H2,1-2H3;6H,2-5H2,1H3/b25-19-;24-18-;19-13-
• InChIKey: FVMBSNZETRZCOE-CTVFOFKASA-N
• XLogP: 22.19
• TPSA: 508.31 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 28
• Rotatable Bonds: 27
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2594.76
LogP ≤ 5	22.19
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-phenylpyrazole;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenylpyrazol-3-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;N',N'-diethylethane-1,2-diamine;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(2-phenylpyrazol-3-yl)-1H-indol-2-one;2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenylpyrazol-3-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid;5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid;1-methylpiperazine;5-(2-phenylpyrazol-3-yl)-1,3-dihydroindol-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one?

The IUPAC name of 5-bromo-1-phenylpyrazole;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenylpyrazol-3-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;N',N'-diethylethane-1,2-diamine;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(2-phenylpyrazol-3-yl)-1H-indol-2-one;2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenylpyrazol-3-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid;5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid;1-methylpiperazine;5-(2-phenylpyrazol-3-yl)-1,3-dihydroindol-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one (CID 158154180) is 5-bromo-1-phenylpyrazole;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenylpyrazol-3-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;N',N'-diethylethane-1,2-diamine;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(2-phenylpyrazol-3-yl)-1H-indol-2-one;2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenylpyrazol-3-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid;5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid;1-methylpiperazine;5-(2-phenylpyrazol-3-yl)-1,3-dihydroindol-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one.

What is the SMILES notation for 5-bromo-1-phenylpyrazole;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenylpyrazol-3-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;N',N'-diethylethane-1,2-diamine;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(2-phenylpyrazol-3-yl)-1H-indol-2-one;2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenylpyrazol-3-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid;5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid;1-methylpiperazine;5-(2-phenylpyrazol-3-yl)-1,3-dihydroindol-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one?

The canonical SMILES for 5-bromo-1-phenylpyrazole;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenylpyrazol-3-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;N',N'-diethylethane-1,2-diamine;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(2-phenylpyrazol-3-yl)-1H-indol-2-one;2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenylpyrazol-3-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid;5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid;1-methylpiperazine;5-(2-phenylpyrazol-3-yl)-1,3-dihydroindol-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one is Brc1ccnn1-c1ccccc1.CC1(C)OB(c2ccc3c(c2)CC(=O)N3)OC1(C)C.CCN(CC)CCN.CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4ccnn4-c4ccccc4)cc32)c1C.CN1CCNCC1.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(-c4ccnn4-c4ccccc4)cc32)c(C)c1C(=O)N1CCN(C)CC1.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(-c4ccnn4-c4ccccc4)cc32)c(C)c1C(=O)O.Cc1[nH]c(C=O)c(C)c1C(=O)O.O=C1Cc2cc(-c3ccnn3-c3ccccc3)ccc2N1.

What is the InChIKey of 5-bromo-1-phenylpyrazole;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenylpyrazol-3-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;N',N'-diethylethane-1,2-diamine;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(2-phenylpyrazol-3-yl)-1H-indol-2-one;2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenylpyrazol-3-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid;5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid;1-methylpiperazine;5-(2-phenylpyrazol-3-yl)-1,3-dihydroindol-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one?

The InChIKey is FVMBSNZETRZCOE-CTVFOFKASA-N. The full InChI is InChI=1S/C31H34N6O2.C30H30N6O2.C25H20N4O3.C17H13N3O.C14H18BNO3.C9H7BrN2.C8H9NO3.C6H16N2.C5H12N2/c1-5-36(6-2)17-16-32-31(39)29-20(3)27(34-21(29)4)19-25-24-18-22(12-13-26(24)35-30(25)38)28-14-15-33-37(28)23-10-8-7-9-11-23;1-19-26(32-20(2)28(19)30(38)35-15-13-34(3)14-16-35)18-24-23-17-21(9-10-25(23)33-29(24)37)27-11-12-31-36(27)22-7-5-4-6-8-22;1-14-21(27-15(2)23(14)25(31)32)13-19-18-12-16(8-9-20(18)28-24(19)30)22-10-11-26-29(22)17-6-4-3-5-7-17;21-17-11-13-10-12(6-7-15(13)19-17)16-8-9-18-20(16)14-4-2-1-3-5-14;1-13(2)14(3,4)19-15(18-13)10-5-6-11-9(7-10)8-12(17)16-11;10-9-6-7-11-12(9)8-4-2-1-3-5-8;1-4-6(3-10)9-5(2)7(4)8(11)12;1-3-8(4-2)6-5-7;1-7-4-2-6-3-5-7/h7-15,18-19,34H,5-6,16-17H2,1-4H3,(H,32,39)(H,35,38);4-12,17-18,32H,13-16H2,1-3H3,(H,33,37);3-13,27H,1-2H3,(H,28,30)(H,31,32);1-10H,11H2,(H,19,21);5-7H,8H2,1-4H3,(H,16,17);1-7H;3,9H,1-2H3,(H,11,12);3-7H2,1-2H3;6H,2-5H2,1H3/b25-19-;24-18-;19-13-;;;;;;.

What are the key properties of 5-bromo-1-phenylpyrazole;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenylpyrazol-3-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;N',N'-diethylethane-1,2-diamine;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(2-phenylpyrazol-3-yl)-1H-indol-2-one;2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenylpyrazol-3-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid;5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid;1-methylpiperazine;5-(2-phenylpyrazol-3-yl)-1,3-dihydroindol-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one?

5-bromo-1-phenylpyrazole;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenylpyrazol-3-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;N',N'-diethylethane-1,2-diamine;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(2-phenylpyrazol-3-yl)-1H-indol-2-one;2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenylpyrazol-3-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid;5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid;1-methylpiperazine;5-(2-phenylpyrazol-3-yl)-1,3-dihydroindol-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one has a molecular weight of 2594.76 g/mol, XLogP of 22.19, 27 rotatable bonds, 14 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-1-phenylpyrazole;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenylpyrazol-3-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;N',N'-diethylethane-1,2-diamine;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(2-phenylpyrazol-3-yl)-1H-indol-2-one;2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenylpyrazol-3-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid;5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid;1-methylpiperazine;5-(2-phenylpyrazol-3-yl)-1,3-dihydroindol-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 158154180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).