benzyl (3R)-3-(5-amino-4-phenylpyrazol-1-yl)-3,4-dihydro-2H-quinoline-1-carboxylate;benzyl (3S)-3-hydroxy-3,4-dihydro-2H-quinoline-1-carboxylate;benzyl (3R)-3-[5-[(4-methoxycarbonyl-3-pyridinyl)amino]-4-phenylpyrazol-1-yl]-3,4-dihydro-2H-quinoline-1-carboxylate;benzyl (3R)-3-(5-nitro-4-phenylpyrazol-1-yl)-3,4-dihydro-2H-quinoline-1-carboxylate;carbanide;methane;methyl 3-iodopyridine-4-carboxylate;methyl 3-[[4-phenyl-1-[(3R)-1,2,3,4-tetrahydroquinolin-3-yl]pyrazol-5-yl]amino]pyridine-4-carboxylate;5-nitro-4-phenyl-1H-pyrazole;palladium

C145H135IN23O19Pd- — CID 159363717

About benzyl (3R)-3-(5-amino-4-phenylpyrazol-1-yl)-3,4-dihydro-2H-quinoline-1-carboxylate;benzyl (3S)-3-hydroxy-3,4-dihydro-2H-quinoline-1-carboxylate;benzyl (3R)-3-[5-[(4-methoxycarbonyl-3-pyridinyl)amino]-4-phenylpyrazol-1-yl]-3,4-dihydro-2H-quinoline-1-carboxylate;benzyl (3R)-3-(5-nitro-4-phenylpyrazol-1-yl)-3,4-dihydro-2H-quinoline-1-carboxylate;carbanide;methane;methyl 3-iodopyridine-4-carboxylate;methyl 3-[[4-phenyl-1-[(3R)-1,2,3,4-tetrahydroquinolin-3-yl]pyrazol-5-yl]amino]pyridine-4-carboxylate;5-nitro-4-phenyl-1H-pyrazole;palladium

benzyl (3R)-3-(5-amino-4-phenylpyrazol-1-yl)-3,4-dihydro-2H-quinoline-1-carboxylate;benzyl (3S)-3-hydroxy-3,4-dihydro-2H-quinoline-1-carboxylate;benzyl (3R)-3-[5-[(4-methoxycarbonyl-3-pyridinyl)amino]-4-phenylpyrazol-1-yl]-3,4-dihydro-2H-quinoline-1-carboxylate;benzyl (3R)-3-(5-nitro-4-phenylpyrazol-1-yl)-3,4-dihydro-2H-quinoline-1-carboxylate;carbanide;methane;methyl 3-iodopyridine-4-carboxylate;methyl 3-[[4-phenyl-1-[(3R)-1,2,3,4-tetrahydroquinolin-3-yl]pyrazol-5-yl]amino]pyridine-4-carboxylate;5-nitro-4-phenyl-1H-pyrazole;palladium (PubChem CID 159363717) has the molecular formula C145H135IN23O19Pd- and a molecular weight of 2737.14 g/mol. Its IUPAC name is benzyl (3R)-3-(5-amino-4-phenylpyrazol-1-yl)-3,4-dihydro-2H-quinoline-1-carboxylate;benzyl (3S)-3-hydroxy-3,4-dihydro-2H-quinoline-1-carboxylate;benzyl (3R)-3-[5-[(4-methoxycarbonyl-3-pyridinyl)amino]-4-phenylpyrazol-1-yl]-3,4-dihydro-2H-quinoline-1-carboxylate;benzyl (3R)-3-(5-nitro-4-phenylpyrazol-1-yl)-3,4-dihydro-2H-quinoline-1-carboxylate;carbanide;methane;methyl 3-iodopyridine-4-carboxylate;methyl 3-[[4-phenyl-1-[(3R)-1,2,3,4-tetrahydroquinolin-3-yl]pyrazol-5-yl]amino]pyridine-4-carboxylate;5-nitro-4-phenyl-1H-pyrazole;palladium.

Molecular Properties

• Compound Name: benzyl (3R)-3-(5-amino-4-phenylpyrazol-1-yl)-3,4-dihydro-2H-quinoline-1-carboxylate;benzyl (3S)-3-hydroxy-3,4-dihydro-2H-quinoline-1-carboxylate;benzyl (3R)-3-[5-[(4-methoxycarbonyl-3-pyridinyl)amino]-4-phenylpyrazol-1-yl]-3,4-dihydro-2H-quinoline-1-carboxylate;benzyl (3R)-3-(5-nitro-4-phenylpyrazol-1-yl)-3,4-dihydro-2H-quinoline-1-carboxylate;carbanide;methane;methyl 3-iodopyridine-4-carboxylate;methyl 3-[[4-phenyl-1-[(3R)-1,2,3,4-tetrahydroquinolin-3-yl]pyrazol-5-yl]amino]pyridine-4-carboxylate;5-nitro-4-phenyl-1H-pyrazole;palladium
• PubChem CID: 159363717
• Molecular Formula: C145H135IN23O19Pd-
• Molecular Weight: 2737.14 g/mol
• Exact Mass: 2734.84
• IUPAC Name: benzyl (3R)-3-(5-amino-4-phenylpyrazol-1-yl)-3,4-dihydro-2H-quinoline-1-carboxylate;benzyl (3S)-3-hydroxy-3,4-dihydro-2H-quinoline-1-carboxylate;benzyl (3R)-3-[5-[(4-methoxycarbonyl-3-pyridinyl)amino]-4-phenylpyrazol-1-yl]-3,4-dihydro-2H-quinoline-1-carboxylate;benzyl (3R)-3-(5-nitro-4-phenylpyrazol-1-yl)-3,4-dihydro-2H-quinoline-1-carboxylate;carbanide;methane;methyl 3-iodopyridine-4-carboxylate;methyl 3-[[4-phenyl-1-[(3R)-1,2,3,4-tetrahydroquinolin-3-yl]pyrazol-5-yl]amino]pyridine-4-carboxylate;5-nitro-4-phenyl-1H-pyrazole;palladium
• SMILES: C.COC(=O)c1ccncc1I.COC(=O)c1ccncc1Nc1c(-c2ccccc2)cnn1[C@@H]1Cc2ccccc2N(C(=O)OCc2ccccc2)C1.COC(=O)c1ccncc1Nc1c(-c2ccccc2)cnn1[C@H]1CNc2ccccc2C1.Nc1c(-c2ccccc2)cnn1[C@@H]1Cc2ccccc2N(C(=O)OCc2ccccc2)C1.O=C(OCc1ccccc1)N1C[C@@H](O)Cc2ccccc21.O=C(OCc1ccccc1)N1C[C@H](n2ncc(-c3ccccc3)c2[N+](=O)[O-])Cc2ccccc21.O=[N+]([O-])c1[nH]ncc1-c1ccccc1.[CH3-].[Pd]
• InChI: InChI=1S/C33H29N5O4.C26H22N4O4.C26H24N4O2.C25H23N5O2.C17H17NO3.C9H7N3O2.C7H6INO2.CH4.CH3.Pd/c1-41-32(39)27-16-17-34-20-29(27)36-31-28(24-12-6-3-7-13-24)19-35-38(31)26-18-25-14-8-9-15-30(25)37(21-26)33(40)42-22-23-10-4-2-5-11-23;31-26(34-18-19-9-3-1-4-10-19)28-17-22(15-21-13-7-8-14-24(21)28)29-25(30(32)33)23(16-27-29)20-11-5-2-6-12-20;27-25-23(20-11-5-2-6-12-20)16-28-30(25)22-15-21-13-7-8-14-24(21)29(17-22)26(31)32-18-19-9-3-1-4-10-19;1-32-25(31)20-11-12-26-16-23(20)29-24-21(17-7-3-2-4-8-17)15-28-30(24)19-13-18-9-5-6-10-22(18)27-14-19;19-15-10-14-8-4-5-9-16(14)18(11-15)17(20)21-12-13-6-2-1-3-7-13;13-12(14)9-8(6-10-11-9)7-4-2-1-3-5-7;1-11-7(10)5-2-3-9-4-6(5)8;;;/h2-17,19-20,26,36H,18,21-22H2,1H3;1-14,16,22H,15,17-18H2;1-14,16,22H,15,17-18,27H2;2-12,15-16,19,27,29H,13-14H2,1H3;1-9,15,19H,10-12H2;1-6H,(H,10,11);2-4H,1H3;1H4;1H3;/q;;;;;;;;-1;/t26-;2*22-;19-;15-;;;;;/m11110...../s1
• InChIKey: DVSGLBSARRMYFL-XJEKCJQOSA-N
• XLogP: 28.86
• TPSA: 504.31 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 35
• Rotatable Bonds: 26
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2737.14
LogP ≤ 5	28.86
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzyl (3R)-3-(5-amino-4-phenylpyrazol-1-yl)-3,4-dihydro-2H-quinoline-1-carboxylate;benzyl (3S)-3-hydroxy-3,4-dihydro-2H-quinoline-1-carboxylate;benzyl (3R)-3-[5-[(4-methoxycarbonyl-3-pyridinyl)amino]-4-phenylpyrazol-1-yl]-3,4-dihydro-2H-quinoline-1-carboxylate;benzyl (3R)-3-(5-nitro-4-phenylpyrazol-1-yl)-3,4-dihydro-2H-quinoline-1-carboxylate;carbanide;methane;methyl 3-iodopyridine-4-carboxylate;methyl 3-[[4-phenyl-1-[(3R)-1,2,3,4-tetrahydroquinolin-3-yl]pyrazol-5-yl]amino]pyridine-4-carboxylate;5-nitro-4-phenyl-1H-pyrazole;palladium?

The IUPAC name of benzyl (3R)-3-(5-amino-4-phenylpyrazol-1-yl)-3,4-dihydro-2H-quinoline-1-carboxylate;benzyl (3S)-3-hydroxy-3,4-dihydro-2H-quinoline-1-carboxylate;benzyl (3R)-3-[5-[(4-methoxycarbonyl-3-pyridinyl)amino]-4-phenylpyrazol-1-yl]-3,4-dihydro-2H-quinoline-1-carboxylate;benzyl (3R)-3-(5-nitro-4-phenylpyrazol-1-yl)-3,4-dihydro-2H-quinoline-1-carboxylate;carbanide;methane;methyl 3-iodopyridine-4-carboxylate;methyl 3-[[4-phenyl-1-[(3R)-1,2,3,4-tetrahydroquinolin-3-yl]pyrazol-5-yl]amino]pyridine-4-carboxylate;5-nitro-4-phenyl-1H-pyrazole;palladium (CID 159363717) is benzyl (3R)-3-(5-amino-4-phenylpyrazol-1-yl)-3,4-dihydro-2H-quinoline-1-carboxylate;benzyl (3S)-3-hydroxy-3,4-dihydro-2H-quinoline-1-carboxylate;benzyl (3R)-3-[5-[(4-methoxycarbonyl-3-pyridinyl)amino]-4-phenylpyrazol-1-yl]-3,4-dihydro-2H-quinoline-1-carboxylate;benzyl (3R)-3-(5-nitro-4-phenylpyrazol-1-yl)-3,4-dihydro-2H-quinoline-1-carboxylate;carbanide;methane;methyl 3-iodopyridine-4-carboxylate;methyl 3-[[4-phenyl-1-[(3R)-1,2,3,4-tetrahydroquinolin-3-yl]pyrazol-5-yl]amino]pyridine-4-carboxylate;5-nitro-4-phenyl-1H-pyrazole;palladium.

What is the SMILES notation for benzyl (3R)-3-(5-amino-4-phenylpyrazol-1-yl)-3,4-dihydro-2H-quinoline-1-carboxylate;benzyl (3S)-3-hydroxy-3,4-dihydro-2H-quinoline-1-carboxylate;benzyl (3R)-3-[5-[(4-methoxycarbonyl-3-pyridinyl)amino]-4-phenylpyrazol-1-yl]-3,4-dihydro-2H-quinoline-1-carboxylate;benzyl (3R)-3-(5-nitro-4-phenylpyrazol-1-yl)-3,4-dihydro-2H-quinoline-1-carboxylate;carbanide;methane;methyl 3-iodopyridine-4-carboxylate;methyl 3-[[4-phenyl-1-[(3R)-1,2,3,4-tetrahydroquinolin-3-yl]pyrazol-5-yl]amino]pyridine-4-carboxylate;5-nitro-4-phenyl-1H-pyrazole;palladium?

The canonical SMILES for benzyl (3R)-3-(5-amino-4-phenylpyrazol-1-yl)-3,4-dihydro-2H-quinoline-1-carboxylate;benzyl (3S)-3-hydroxy-3,4-dihydro-2H-quinoline-1-carboxylate;benzyl (3R)-3-[5-[(4-methoxycarbonyl-3-pyridinyl)amino]-4-phenylpyrazol-1-yl]-3,4-dihydro-2H-quinoline-1-carboxylate;benzyl (3R)-3-(5-nitro-4-phenylpyrazol-1-yl)-3,4-dihydro-2H-quinoline-1-carboxylate;carbanide;methane;methyl 3-iodopyridine-4-carboxylate;methyl 3-[[4-phenyl-1-[(3R)-1,2,3,4-tetrahydroquinolin-3-yl]pyrazol-5-yl]amino]pyridine-4-carboxylate;5-nitro-4-phenyl-1H-pyrazole;palladium is C.COC(=O)c1ccncc1I.COC(=O)c1ccncc1Nc1c(-c2ccccc2)cnn1[C@@H]1Cc2ccccc2N(C(=O)OCc2ccccc2)C1.COC(=O)c1ccncc1Nc1c(-c2ccccc2)cnn1[C@H]1CNc2ccccc2C1.Nc1c(-c2ccccc2)cnn1[C@@H]1Cc2ccccc2N(C(=O)OCc2ccccc2)C1.O=C(OCc1ccccc1)N1C[C@@H](O)Cc2ccccc21.O=C(OCc1ccccc1)N1C[C@H](n2ncc(-c3ccccc3)c2[N+](=O)[O-])Cc2ccccc21.O=[N+]([O-])c1[nH]ncc1-c1ccccc1.[CH3-].[Pd].

What is the InChIKey of benzyl (3R)-3-(5-amino-4-phenylpyrazol-1-yl)-3,4-dihydro-2H-quinoline-1-carboxylate;benzyl (3S)-3-hydroxy-3,4-dihydro-2H-quinoline-1-carboxylate;benzyl (3R)-3-[5-[(4-methoxycarbonyl-3-pyridinyl)amino]-4-phenylpyrazol-1-yl]-3,4-dihydro-2H-quinoline-1-carboxylate;benzyl (3R)-3-(5-nitro-4-phenylpyrazol-1-yl)-3,4-dihydro-2H-quinoline-1-carboxylate;carbanide;methane;methyl 3-iodopyridine-4-carboxylate;methyl 3-[[4-phenyl-1-[(3R)-1,2,3,4-tetrahydroquinolin-3-yl]pyrazol-5-yl]amino]pyridine-4-carboxylate;5-nitro-4-phenyl-1H-pyrazole;palladium?

The InChIKey is DVSGLBSARRMYFL-XJEKCJQOSA-N. The full InChI is InChI=1S/C33H29N5O4.C26H22N4O4.C26H24N4O2.C25H23N5O2.C17H17NO3.C9H7N3O2.C7H6INO2.CH4.CH3.Pd/c1-41-32(39)27-16-17-34-20-29(27)36-31-28(24-12-6-3-7-13-24)19-35-38(31)26-18-25-14-8-9-15-30(25)37(21-26)33(40)42-22-23-10-4-2-5-11-23;31-26(34-18-19-9-3-1-4-10-19)28-17-22(15-21-13-7-8-14-24(21)28)29-25(30(32)33)23(16-27-29)20-11-5-2-6-12-20;27-25-23(20-11-5-2-6-12-20)16-28-30(25)22-15-21-13-7-8-14-24(21)29(17-22)26(31)32-18-19-9-3-1-4-10-19;1-32-25(31)20-11-12-26-16-23(20)29-24-21(17-7-3-2-4-8-17)15-28-30(24)19-13-18-9-5-6-10-22(18)27-14-19;19-15-10-14-8-4-5-9-16(14)18(11-15)17(20)21-12-13-6-2-1-3-7-13;13-12(14)9-8(6-10-11-9)7-4-2-1-3-5-7;1-11-7(10)5-2-3-9-4-6(5)8;;;/h2-17,19-20,26,36H,18,21-22H2,1H3;1-14,16,22H,15,17-18H2;1-14,16,22H,15,17-18,27H2;2-12,15-16,19,27,29H,13-14H2,1H3;1-9,15,19H,10-12H2;1-6H,(H,10,11);2-4H,1H3;1H4;1H3;/q;;;;;;;;-1;/t26-;2*22-;19-;15-;;;;;/m11110...../s1.

What are the key properties of benzyl (3R)-3-(5-amino-4-phenylpyrazol-1-yl)-3,4-dihydro-2H-quinoline-1-carboxylate;benzyl (3S)-3-hydroxy-3,4-dihydro-2H-quinoline-1-carboxylate;benzyl (3R)-3-[5-[(4-methoxycarbonyl-3-pyridinyl)amino]-4-phenylpyrazol-1-yl]-3,4-dihydro-2H-quinoline-1-carboxylate;benzyl (3R)-3-(5-nitro-4-phenylpyrazol-1-yl)-3,4-dihydro-2H-quinoline-1-carboxylate;carbanide;methane;methyl 3-iodopyridine-4-carboxylate;methyl 3-[[4-phenyl-1-[(3R)-1,2,3,4-tetrahydroquinolin-3-yl]pyrazol-5-yl]amino]pyridine-4-carboxylate;5-nitro-4-phenyl-1H-pyrazole;palladium?

benzyl (3R)-3-(5-amino-4-phenylpyrazol-1-yl)-3,4-dihydro-2H-quinoline-1-carboxylate;benzyl (3S)-3-hydroxy-3,4-dihydro-2H-quinoline-1-carboxylate;benzyl (3R)-3-[5-[(4-methoxycarbonyl-3-pyridinyl)amino]-4-phenylpyrazol-1-yl]-3,4-dihydro-2H-quinoline-1-carboxylate;benzyl (3R)-3-(5-nitro-4-phenylpyrazol-1-yl)-3,4-dihydro-2H-quinoline-1-carboxylate;carbanide;methane;methyl 3-iodopyridine-4-carboxylate;methyl 3-[[4-phenyl-1-[(3R)-1,2,3,4-tetrahydroquinolin-3-yl]pyrazol-5-yl]amino]pyridine-4-carboxylate;5-nitro-4-phenyl-1H-pyrazole;palladium has a molecular weight of 2737.14 g/mol, XLogP of 28.86, 26 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl (3R)-3-(5-amino-4-phenylpyrazol-1-yl)-3,4-dihydro-2H-quinoline-1-carboxylate;benzyl (3S)-3-hydroxy-3,4-dihydro-2H-quinoline-1-carboxylate;benzyl (3R)-3-[5-[(4-methoxycarbonyl-3-pyridinyl)amino]-4-phenylpyrazol-1-yl]-3,4-dihydro-2H-quinoline-1-carboxylate;benzyl (3R)-3-(5-nitro-4-phenylpyrazol-1-yl)-3,4-dihydro-2H-quinoline-1-carboxylate;carbanide;methane;methyl 3-iodopyridine-4-carboxylate;methyl 3-[[4-phenyl-1-[(3R)-1,2,3,4-tetrahydroquinolin-3-yl]pyrazol-5-yl]amino]pyridine-4-carboxylate;5-nitro-4-phenyl-1H-pyrazole;palladium is sourced from PubChem (CID 159363717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).