1-benzyl-4-nitropyrazole;1-benzylpyrazol-4-amine;N-(1-benzylpyrazol-4-yl)-5-(1H-inden-2-yl)-4-oxocyclohexa-1,5-diene-1-carboxamide;tert-butyl 2-[5-[(1-benzylpyrazol-4-yl)carbamoyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 2-[5-methoxycarbonyl-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;methyl 5-iodo-6-oxo-1H-pyridine-3-carboxylate;methyl 5-iodo-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylate;5-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylic acid;4-nitro-1H-pyrazole;1H-pyrazole

C158H181I2N25O30Si4 — CID 161236798

About 1-benzyl-4-nitropyrazole;1-benzylpyrazol-4-amine;N-(1-benzylpyrazol-4-yl)-5-(1H-inden-2-yl)-4-oxocyclohexa-1,5-diene-1-carboxamide;tert-butyl 2-[5-[(1-benzylpyrazol-4-yl)carbamoyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 2-[5-methoxycarbonyl-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;methyl 5-iodo-6-oxo-1H-pyridine-3-carboxylate;methyl 5-iodo-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylate;5-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylic acid;4-nitro-1H-pyrazole;1H-pyrazole

1-benzyl-4-nitropyrazole;1-benzylpyrazol-4-amine;N-(1-benzylpyrazol-4-yl)-5-(1H-inden-2-yl)-4-oxocyclohexa-1,5-diene-1-carboxamide;tert-butyl 2-[5-[(1-benzylpyrazol-4-yl)carbamoyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 2-[5-methoxycarbonyl-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;methyl 5-iodo-6-oxo-1H-pyridine-3-carboxylate;methyl 5-iodo-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylate;5-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylic acid;4-nitro-1H-pyrazole;1H-pyrazole (PubChem CID 161236798) has the molecular formula C158H181I2N25O30Si4 and a molecular weight of 3276.48 g/mol. Its IUPAC name is 1-benzyl-4-nitropyrazole;1-benzylpyrazol-4-amine;N-(1-benzylpyrazol-4-yl)-5-(1H-inden-2-yl)-4-oxocyclohexa-1,5-diene-1-carboxamide;tert-butyl 2-[5-[(1-benzylpyrazol-4-yl)carbamoyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 2-[5-methoxycarbonyl-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;methyl 5-iodo-6-oxo-1H-pyridine-3-carboxylate;methyl 5-iodo-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylate;5-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylic acid;4-nitro-1H-pyrazole;1H-pyrazole.

Molecular Properties

• Compound Name: 1-benzyl-4-nitropyrazole;1-benzylpyrazol-4-amine;N-(1-benzylpyrazol-4-yl)-5-(1H-inden-2-yl)-4-oxocyclohexa-1,5-diene-1-carboxamide;tert-butyl 2-[5-[(1-benzylpyrazol-4-yl)carbamoyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 2-[5-methoxycarbonyl-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;methyl 5-iodo-6-oxo-1H-pyridine-3-carboxylate;methyl 5-iodo-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylate;5-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylic acid;4-nitro-1H-pyrazole;1H-pyrazole
• PubChem CID: 161236798
• Molecular Formula: C158H181I2N25O30Si4
• Molecular Weight: 3276.48 g/mol
• Exact Mass: 3274.06
• IUPAC Name: 1-benzyl-4-nitropyrazole;1-benzylpyrazol-4-amine;N-(1-benzylpyrazol-4-yl)-5-(1H-inden-2-yl)-4-oxocyclohexa-1,5-diene-1-carboxamide;tert-butyl 2-[5-[(1-benzylpyrazol-4-yl)carbamoyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 2-[5-methoxycarbonyl-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;methyl 5-iodo-6-oxo-1H-pyridine-3-carboxylate;methyl 5-iodo-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylate;5-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylic acid;4-nitro-1H-pyrazole;1H-pyrazole
• SMILES: CC(C)(C)OC(=O)n1c(-c2cc(C(=O)Nc3cnn(Cc4ccccc4)c3)cn(COCC[Si](C)(C)C)c2=O)cc2ccccc21.CC(C)(C)OC(=O)n1c(-c2cc(C(=O)O)cn(COCC[Si](C)(C)C)c2=O)cc2ccccc21.COC(=O)c1c[nH]c(=O)c(I)c1.COC(=O)c1cc(-c2cc3ccccc3n2C(=O)OC(C)(C)C)c(=O)n(COCC[Si](C)(C)C)c1.COC(=O)c1cc(I)c(=O)n(COCC[Si](C)(C)C)c1.Nc1cnn(Cc2ccccc2)c1.O=C1CC=C(C(=O)Nc2cnn(Cc3ccccc3)c2)C=C1C1=Cc2ccccc2C1.O=[N+]([O-])c1cn[nH]c1.O=[N+]([O-])c1cnn(Cc2ccccc2)c1.c1cn[nH]c1
• InChI: InChI=1S/C35H41N5O5Si.C26H21N3O2.C26H34N2O6Si.C25H32N2O6Si.C13H20INO4Si.C10H9N3O2.C10H11N3.C7H6INO3.C3H3N3O2.C3H4N2/c1-35(2,3)45-34(43)40-30-15-11-10-14-26(30)19-31(40)29-18-27(22-38(33(29)42)24-44-16-17-46(4,5)6)32(41)37-28-20-36-39(23-28)21-25-12-8-7-9-13-25;30-25-11-10-21(14-24(25)22-12-19-8-4-5-9-20(19)13-22)26(31)28-23-15-27-29(17-23)16-18-6-2-1-3-7-18;1-26(2,3)34-25(31)28-21-11-9-8-10-18(21)15-22(28)20-14-19(24(30)32-4)16-27(23(20)29)17-33-12-13-35(5,6)7;1-25(2,3)33-24(31)27-20-10-8-7-9-17(20)14-21(27)19-13-18(23(29)30)15-26(22(19)28)16-32-11-12-34(4,5)6;1-18-13(17)10-7-11(14)12(16)15(8-10)9-19-5-6-20(2,3)4;14-13(15)10-6-11-12(8-10)7-9-4-2-1-3-5-9;11-10-6-12-13(8-10)7-9-4-2-1-3-5-9;1-12-7(11)4-2-5(8)6(10)9-3-4;7-6(8)3-1-4-5-2-3;1-2-4-5-3-1/h7-15,18-20,22-23H,16-17,21,24H2,1-6H3,(H,37,41);1-10,12,14-15,17H,11,13,16H2,(H,28,31);8-11,14-16H,12-13,17H2,1-7H3;7-10,13-15H,11-12,16H2,1-6H3,(H,29,30);7-8H,5-6,9H2,1-4H3;1-6,8H,7H2;1-6,8H,7,11H2;2-3H,1H3,(H,9,10);1-2H,(H,4,5);1-3H,(H,4,5)
• InChIKey: UZMAMTTZEQKMSR-UHFFFAOYSA-N
• XLogP: 29.41
• TPSA: 683.88 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 47
• Rotatable Bonds: 42
• Heavy Atoms: 219
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3276.48
LogP ≤ 5	29.41
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	47

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-nitropyrazole;1-benzylpyrazol-4-amine;N-(1-benzylpyrazol-4-yl)-5-(1H-inden-2-yl)-4-oxocyclohexa-1,5-diene-1-carboxamide;tert-butyl 2-[5-[(1-benzylpyrazol-4-yl)carbamoyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 2-[5-methoxycarbonyl-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;methyl 5-iodo-6-oxo-1H-pyridine-3-carboxylate;methyl 5-iodo-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylate;5-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylic acid;4-nitro-1H-pyrazole;1H-pyrazole?

The IUPAC name of 1-benzyl-4-nitropyrazole;1-benzylpyrazol-4-amine;N-(1-benzylpyrazol-4-yl)-5-(1H-inden-2-yl)-4-oxocyclohexa-1,5-diene-1-carboxamide;tert-butyl 2-[5-[(1-benzylpyrazol-4-yl)carbamoyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 2-[5-methoxycarbonyl-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;methyl 5-iodo-6-oxo-1H-pyridine-3-carboxylate;methyl 5-iodo-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylate;5-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylic acid;4-nitro-1H-pyrazole;1H-pyrazole (CID 161236798) is 1-benzyl-4-nitropyrazole;1-benzylpyrazol-4-amine;N-(1-benzylpyrazol-4-yl)-5-(1H-inden-2-yl)-4-oxocyclohexa-1,5-diene-1-carboxamide;tert-butyl 2-[5-[(1-benzylpyrazol-4-yl)carbamoyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 2-[5-methoxycarbonyl-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;methyl 5-iodo-6-oxo-1H-pyridine-3-carboxylate;methyl 5-iodo-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylate;5-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylic acid;4-nitro-1H-pyrazole;1H-pyrazole.

What is the SMILES notation for 1-benzyl-4-nitropyrazole;1-benzylpyrazol-4-amine;N-(1-benzylpyrazol-4-yl)-5-(1H-inden-2-yl)-4-oxocyclohexa-1,5-diene-1-carboxamide;tert-butyl 2-[5-[(1-benzylpyrazol-4-yl)carbamoyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 2-[5-methoxycarbonyl-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;methyl 5-iodo-6-oxo-1H-pyridine-3-carboxylate;methyl 5-iodo-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylate;5-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylic acid;4-nitro-1H-pyrazole;1H-pyrazole?

The canonical SMILES for 1-benzyl-4-nitropyrazole;1-benzylpyrazol-4-amine;N-(1-benzylpyrazol-4-yl)-5-(1H-inden-2-yl)-4-oxocyclohexa-1,5-diene-1-carboxamide;tert-butyl 2-[5-[(1-benzylpyrazol-4-yl)carbamoyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 2-[5-methoxycarbonyl-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;methyl 5-iodo-6-oxo-1H-pyridine-3-carboxylate;methyl 5-iodo-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylate;5-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylic acid;4-nitro-1H-pyrazole;1H-pyrazole is CC(C)(C)OC(=O)n1c(-c2cc(C(=O)Nc3cnn(Cc4ccccc4)c3)cn(COCC[Si](C)(C)C)c2=O)cc2ccccc21.CC(C)(C)OC(=O)n1c(-c2cc(C(=O)O)cn(COCC[Si](C)(C)C)c2=O)cc2ccccc21.COC(=O)c1c[nH]c(=O)c(I)c1.COC(=O)c1cc(-c2cc3ccccc3n2C(=O)OC(C)(C)C)c(=O)n(COCC[Si](C)(C)C)c1.COC(=O)c1cc(I)c(=O)n(COCC[Si](C)(C)C)c1.Nc1cnn(Cc2ccccc2)c1.O=C1CC=C(C(=O)Nc2cnn(Cc3ccccc3)c2)C=C1C1=Cc2ccccc2C1.O=[N+]([O-])c1cn[nH]c1.O=[N+]([O-])c1cnn(Cc2ccccc2)c1.c1cn[nH]c1.

What is the InChIKey of 1-benzyl-4-nitropyrazole;1-benzylpyrazol-4-amine;N-(1-benzylpyrazol-4-yl)-5-(1H-inden-2-yl)-4-oxocyclohexa-1,5-diene-1-carboxamide;tert-butyl 2-[5-[(1-benzylpyrazol-4-yl)carbamoyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 2-[5-methoxycarbonyl-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;methyl 5-iodo-6-oxo-1H-pyridine-3-carboxylate;methyl 5-iodo-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylate;5-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylic acid;4-nitro-1H-pyrazole;1H-pyrazole?

The InChIKey is UZMAMTTZEQKMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H41N5O5Si.C26H21N3O2.C26H34N2O6Si.C25H32N2O6Si.C13H20INO4Si.C10H9N3O2.C10H11N3.C7H6INO3.C3H3N3O2.C3H4N2/c1-35(2,3)45-34(43)40-30-15-11-10-14-26(30)19-31(40)29-18-27(22-38(33(29)42)24-44-16-17-46(4,5)6)32(41)37-28-20-36-39(23-28)21-25-12-8-7-9-13-25;30-25-11-10-21(14-24(25)22-12-19-8-4-5-9-20(19)13-22)26(31)28-23-15-27-29(17-23)16-18-6-2-1-3-7-18;1-26(2,3)34-25(31)28-21-11-9-8-10-18(21)15-22(28)20-14-19(24(30)32-4)16-27(23(20)29)17-33-12-13-35(5,6)7;1-25(2,3)33-24(31)27-20-10-8-7-9-17(20)14-21(27)19-13-18(23(29)30)15-26(22(19)28)16-32-11-12-34(4,5)6;1-18-13(17)10-7-11(14)12(16)15(8-10)9-19-5-6-20(2,3)4;14-13(15)10-6-11-12(8-10)7-9-4-2-1-3-5-9;11-10-6-12-13(8-10)7-9-4-2-1-3-5-9;1-12-7(11)4-2-5(8)6(10)9-3-4;7-6(8)3-1-4-5-2-3;1-2-4-5-3-1/h7-15,18-20,22-23H,16-17,21,24H2,1-6H3,(H,37,41);1-10,12,14-15,17H,11,13,16H2,(H,28,31);8-11,14-16H,12-13,17H2,1-7H3;7-10,13-15H,11-12,16H2,1-6H3,(H,29,30);7-8H,5-6,9H2,1-4H3;1-6,8H,7H2;1-6,8H,7,11H2;2-3H,1H3,(H,9,10);1-2H,(H,4,5);1-3H,(H,4,5).

What are the key properties of 1-benzyl-4-nitropyrazole;1-benzylpyrazol-4-amine;N-(1-benzylpyrazol-4-yl)-5-(1H-inden-2-yl)-4-oxocyclohexa-1,5-diene-1-carboxamide;tert-butyl 2-[5-[(1-benzylpyrazol-4-yl)carbamoyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 2-[5-methoxycarbonyl-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;methyl 5-iodo-6-oxo-1H-pyridine-3-carboxylate;methyl 5-iodo-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylate;5-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylic acid;4-nitro-1H-pyrazole;1H-pyrazole?

1-benzyl-4-nitropyrazole;1-benzylpyrazol-4-amine;N-(1-benzylpyrazol-4-yl)-5-(1H-inden-2-yl)-4-oxocyclohexa-1,5-diene-1-carboxamide;tert-butyl 2-[5-[(1-benzylpyrazol-4-yl)carbamoyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 2-[5-methoxycarbonyl-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;methyl 5-iodo-6-oxo-1H-pyridine-3-carboxylate;methyl 5-iodo-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylate;5-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylic acid;4-nitro-1H-pyrazole;1H-pyrazole has a molecular weight of 3276.48 g/mol, XLogP of 29.41, 42 rotatable bonds, 7 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzyl-4-nitropyrazole;1-benzylpyrazol-4-amine;N-(1-benzylpyrazol-4-yl)-5-(1H-inden-2-yl)-4-oxocyclohexa-1,5-diene-1-carboxamide;tert-butyl 2-[5-[(1-benzylpyrazol-4-yl)carbamoyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 2-[5-methoxycarbonyl-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;methyl 5-iodo-6-oxo-1H-pyridine-3-carboxylate;methyl 5-iodo-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylate;5-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylic acid;4-nitro-1H-pyrazole;1H-pyrazole is sourced from PubChem (CID 161236798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).