carbanide;methane;methyl 3-bromopyridine-4-carboxylate;methyl 3-[[3-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]amino]pyridine-4-carboxylate;methyl 3-[[5-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]amino]pyridine-4-carboxylate;3-methyl-1-(1-methylpyrrolidin-3-yl)-4-nitropyrazole;5-methyl-1-(1-methylpyrrolidin-3-yl)-4-nitropyrazole;3-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-4-amine;5-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-4-amine;5-methyl-4-nitro-1H-pyrazole;1-methylpyrrolidin-3-ol;palladium

C86H131BrN31O13Pd- — CID 158658171

IUPACcarbanide;methane;methyl 3-bromopyridine-4-carboxylate;methyl 3-[[3-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]amino]pyridine-4-carboxylate;methyl 3-[[5-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]amino]pyridine-4-carboxylate;3-methyl-1-(1-methylpyrrolidin-3-yl)-4-nitropyrazole;5-methyl-1-(1-methylpyrrolidin-3-yl)-4-nitropyrazole;3-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-4-amine;5-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-4-amine;5-methyl-4-nitro-1H-pyrazole;1-methylpyrrolidin-3-ol;palladium
SMILESC.CN1CCC(O)C1.COC(=O)c1ccncc1Br.COC(=O)c1ccncc1Nc1cn(C2CCN(C)C2)nc1C.COC(=O)c1ccncc1Nc1cnn(C2CCN(C)C2)c1C.Cc1[nH]ncc1[N+](=O)[O-].Cc1c(N)cnn1C1CCN(C)C1.Cc1c([N+](=O)[O-])cnn1C1CCN(C)C1.Cc1nn(C2CCN(C)C2)cc1N.Cc1nn(C2CCN(C)C2)cc1[N+](=O)[O-].[CH3-].[Pd]
InChIInChI=1S/2C16H21N5O2.2C9H14N4O2.2C9H16N4.C7H6BrNO2.C5H11NO.C4H5N3O2.CH4.CH3.Pd/c1-11-14(9-18-21(11)12-5-7-20(2)10-12)19-15-8-17-6-4-13(15)16(22)23-3;1-11-15(10-21(19-11)12-5-7-20(2)9-12)18-14-8-17-6-4-13(14)16(22)23-3;1-7-9(13(14)15)5-10-12(7)8-3-4-11(2)6-8;1-7-9(13(14)15)6-12(10-7)8-3-4-11(2)5-8;1-7-9(10)5-11-13(7)8-3-4-12(2)6-8;1-7-9(10)6-13(11-7)8-3-4-12(2)5-8;1-11-7(10)5-2-3-9-4-6(5)8;1-6-3-2-5(7)4-6;1-3-4(7(8)9)2-5-6-3;;;/h4,6,8-9,12,19H,5,7,10H2,1-3H3;4,6,8,10,12,18H,5,7,9H2,1-3H3;5,8H,3-4,6H2,1-2H3;6,8H,3-5H2,1-2H3;5,8H,3-4,6,10H2,1-2H3;6,8H,3-5,10H2,1-2H3;2-4H,1H3;5,7H,2-4H2,1H3;2H,1H3,(H,5,6);1H4;1H3;/q;;;;;;;;;;-1;
InChIKeyFVARHRLFFIHYOK-UHFFFAOYSA-N
MW1993.52 g/mol
LogP10.26
Rot. Bonds16

About carbanide;methane;methyl 3-bromopyridine-4-carboxylate;methyl 3-[[3-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]amino]pyridine-4-carboxylate;methyl 3-[[5-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]amino]pyridine-4-carboxylate;3-methyl-1-(1-methylpyrrolidin-3-yl)-4-nitropyrazole;5-methyl-1-(1-methylpyrrolidin-3-yl)-4-nitropyrazole;3-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-4-amine;5-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-4-amine;5-methyl-4-nitro-1H-pyrazole;1-methylpyrrolidin-3-ol;palladium

carbanide;methane;methyl 3-bromopyridine-4-carboxylate;methyl 3-[[3-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]amino]pyridine-4-carboxylate;methyl 3-[[5-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]amino]pyridine-4-carboxylate;3-methyl-1-(1-methylpyrrolidin-3-yl)-4-nitropyrazole;5-methyl-1-(1-methylpyrrolidin-3-yl)-4-nitropyrazole;3-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-4-amine;5-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-4-amine;5-methyl-4-nitro-1H-pyrazole;1-methylpyrrolidin-3-ol;palladium (PubChem CID 158658171) has the molecular formula C86H131BrN31O13Pd- and a molecular weight of 1993.52 g/mol. Its IUPAC name is carbanide;methane;methyl 3-bromopyridine-4-carboxylate;methyl 3-[[3-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]amino]pyridine-4-carboxylate;methyl 3-[[5-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]amino]pyridine-4-carboxylate;3-methyl-1-(1-methylpyrrolidin-3-yl)-4-nitropyrazole;5-methyl-1-(1-methylpyrrolidin-3-yl)-4-nitropyrazole;3-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-4-amine;5-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-4-amine;5-methyl-4-nitro-1H-pyrazole;1-methylpyrrolidin-3-ol;palladium.

Molecular Properties

Compound Namecarbanide;methane;methyl 3-bromopyridine-4-carboxylate;methyl 3-[[3-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]amino]pyridine-4-carboxylate;methyl 3-[[5-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]amino]pyridine-4-carboxylate;3-methyl-1-(1-methylpyrrolidin-3-yl)-4-nitropyrazole;5-methyl-1-(1-methylpyrrolidin-3-yl)-4-nitropyrazole;3-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-4-amine;5-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-4-amine;5-methyl-4-nitro-1H-pyrazole;1-methylpyrrolidin-3-ol;palladium
PubChem CID158658171
Molecular FormulaC86H131BrN31O13Pd-
Molecular Weight1993.52 g/mol
Exact Mass1990.88
IUPAC Namecarbanide;methane;methyl 3-bromopyridine-4-carboxylate;methyl 3-[[3-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]amino]pyridine-4-carboxylate;methyl 3-[[5-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]amino]pyridine-4-carboxylate;3-methyl-1-(1-methylpyrrolidin-3-yl)-4-nitropyrazole;5-methyl-1-(1-methylpyrrolidin-3-yl)-4-nitropyrazole;3-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-4-amine;5-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-4-amine;5-methyl-4-nitro-1H-pyrazole;1-methylpyrrolidin-3-ol;palladium
SMILESC.CN1CCC(O)C1.COC(=O)c1ccncc1Br.COC(=O)c1ccncc1Nc1cn(C2CCN(C)C2)nc1C.COC(=O)c1ccncc1Nc1cnn(C2CCN(C)C2)c1C.Cc1[nH]ncc1[N+](=O)[O-].Cc1c(N)cnn1C1CCN(C)C1.Cc1c([N+](=O)[O-])cnn1C1CCN(C)C1.Cc1nn(C2CCN(C)C2)cc1N.Cc1nn(C2CCN(C)C2)cc1[N+](=O)[O-].[CH3-].[Pd]
InChIInChI=1S/2C16H21N5O2.2C9H14N4O2.2C9H16N4.C7H6BrNO2.C5H11NO.C4H5N3O2.CH4.CH3.Pd/c1-11-14(9-18-21(11)12-5-7-20(2)10-12)19-15-8-17-6-4-13(15)16(22)23-3;1-11-15(10-21(19-11)12-5-7-20(2)9-12)18-14-8-17-6-4-13(14)16(22)23-3;1-7-9(13(14)15)5-10-12(7)8-3-4-11(2)6-8;1-7-9(13(14)15)6-12(10-7)8-3-4-11(2)5-8;1-7-9(10)5-11-13(7)8-3-4-12(2)6-8;1-7-9(10)6-13(11-7)8-3-4-12(2)5-8;1-11-7(10)5-2-3-9-4-6(5)8;1-6-3-2-5(7)4-6;1-3-4(7(8)9)2-5-6-3;;;/h4,6,8-9,12,19H,5,7,10H2,1-3H3;4,6,8,10,12,18H,5,7,9H2,1-3H3;5,8H,3-4,6H2,1-2H3;6,8H,3-5H2,1-2H3;5,8H,3-4,6,10H2,1-2H3;6,8H,3-5,10H2,1-2H3;2-4H,1H3;5,7H,2-4H2,1H3;2H,1H3,(H,5,6);1H4;1H3;/q;;;;;;;;;;-1;
InChIKeyFVARHRLFFIHYOK-UHFFFAOYSA-N
XLogP10.26
TPSA501.60 Ų
H-Bond Donors6
H-Bond Acceptors40
Rotatable Bonds16
Heavy Atoms132
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001993.52
LogP ≤ 510.26
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

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

Analyze carbanide;methane;methyl 3-bromopyridine-4-carboxylate;methyl 3-[[3-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]amino]pyridine-4-carboxylate;methyl 3-[[5-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]amino]pyridine-4-carboxylate;3-methyl-1-(1-methylpyrrolidin-3-yl)-4-nitropyrazole;5-methyl-1-(1-methylpyrrolidin-3-yl)-4-nitropyrazole;3-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-4-amine;5-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-4-amine;5-methyl-4-nitro-1H-pyrazole;1-methylpyrrolidin-3-ol;palladium with MolForge

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Related Compounds

2-(dimethylamino)ethanol;1-[2-(dimethylamino)ethyl]-3-methylpyrazol-4-amine;1-[2-(dimethylamino)ethyl]-5-methylpyrazol-4-amine;N,N-dimethyl-2-(3-methyl-4-nitropyrazol-1-yl)ethanamine;N,N-dimethyl-2-(5-methyl-4-nitropyrazol-1-yl)ethanamine;methyl 3-[[2-[2-(dimethylamino)ethyl]-3-methyl-1H-pyrazol-2-ium-4-yl]methyl]pyridine-4-carboxylate;methyl 3-[[2-[2-(dimethylamino)ethyl]-5-methyl-1H-pyrazol-2-ium-4-yl]methyl]pyridine-4-carboxylate;methyl 3-iodopyridine-4-carboxylate;5-methyl-4-nitro-1H-pyrazole
CID 157306377
methyl 3-bromopyridine-4-carboxylate;1-methyl-4-(3-methyl-4-nitropyrazol-1-yl)piperidine;1-methyl-4-(5-methyl-4-nitropyrazol-1-yl)piperidine;3-methyl-1-(1-methylpiperidin-4-yl)pyrazol-4-amine;5-methyl-1-(1-methylpiperidin-4-yl)pyrazol-4-amine;3-[[3-methyl-2-(1-methylpiperidin-4-yl)-1H-pyrazol-2-ium-4-yl]methyl]pyridine-4-carboxylic acid;1-[3-[[5-methyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-4-pyridinyl]ethanone;3-[[3-methyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]methyl]pyridine-4-carboxylic acid;1-[3-[[3-methyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-4-pyridinyl]ethanone;4-(3-methyl-4-nitropyrazol-1-yl)piperidine;4-(5-methyl-4-nitropyrazol-1-yl)piperidine
CID 157940733
tert-butyl 4-(4-amino-3-methylpyrazol-1-yl)azepane-1-carboxylate;tert-butyl 4-(4-amino-5-methylpyrazol-1-yl)azepane-1-carboxylate;tert-butyl 4-hydroxyazepane-1-carboxylate;tert-butyl 4-[4-[(4-methoxycarbonyl-3-pyridinyl)methyl]-3-methylpyrazol-1-yl]azepane-1-carboxylate;tert-butyl 4-[4-[(4-methoxycarbonyl-3-pyridinyl)methyl]-5-methylpyrazol-1-yl]azepane-1-carboxylate;tert-butyl 4-(3-methyl-4-nitropyrazol-1-yl)azepane-1-carboxylate;tert-butyl 4-(5-methyl-4-nitropyrazol-1-yl)azepane-1-carboxylate;carbanide;methyl 3-bromopyridine-4-carboxylate;5-methyl-4-nitro-1H-pyrazole;palladium
CID 159986737

Frequently Asked Questions

What is the IUPAC name of carbanide;methane;methyl 3-bromopyridine-4-carboxylate;methyl 3-[[3-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]amino]pyridine-4-carboxylate;methyl 3-[[5-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]amino]pyridine-4-carboxylate;3-methyl-1-(1-methylpyrrolidin-3-yl)-4-nitropyrazole;5-methyl-1-(1-methylpyrrolidin-3-yl)-4-nitropyrazole;3-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-4-amine;5-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-4-amine;5-methyl-4-nitro-1H-pyrazole;1-methylpyrrolidin-3-ol;palladium?
The IUPAC name of carbanide;methane;methyl 3-bromopyridine-4-carboxylate;methyl 3-[[3-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]amino]pyridine-4-carboxylate;methyl 3-[[5-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]amino]pyridine-4-carboxylate;3-methyl-1-(1-methylpyrrolidin-3-yl)-4-nitropyrazole;5-methyl-1-(1-methylpyrrolidin-3-yl)-4-nitropyrazole;3-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-4-amine;5-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-4-amine;5-methyl-4-nitro-1H-pyrazole;1-methylpyrrolidin-3-ol;palladium (CID 158658171) is carbanide;methane;methyl 3-bromopyridine-4-carboxylate;methyl 3-[[3-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]amino]pyridine-4-carboxylate;methyl 3-[[5-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]amino]pyridine-4-carboxylate;3-methyl-1-(1-methylpyrrolidin-3-yl)-4-nitropyrazole;5-methyl-1-(1-methylpyrrolidin-3-yl)-4-nitropyrazole;3-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-4-amine;5-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-4-amine;5-methyl-4-nitro-1H-pyrazole;1-methylpyrrolidin-3-ol;palladium.
What is the SMILES notation for carbanide;methane;methyl 3-bromopyridine-4-carboxylate;methyl 3-[[3-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]amino]pyridine-4-carboxylate;methyl 3-[[5-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]amino]pyridine-4-carboxylate;3-methyl-1-(1-methylpyrrolidin-3-yl)-4-nitropyrazole;5-methyl-1-(1-methylpyrrolidin-3-yl)-4-nitropyrazole;3-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-4-amine;5-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-4-amine;5-methyl-4-nitro-1H-pyrazole;1-methylpyrrolidin-3-ol;palladium?
The canonical SMILES for carbanide;methane;methyl 3-bromopyridine-4-carboxylate;methyl 3-[[3-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]amino]pyridine-4-carboxylate;methyl 3-[[5-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]amino]pyridine-4-carboxylate;3-methyl-1-(1-methylpyrrolidin-3-yl)-4-nitropyrazole;5-methyl-1-(1-methylpyrrolidin-3-yl)-4-nitropyrazole;3-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-4-amine;5-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-4-amine;5-methyl-4-nitro-1H-pyrazole;1-methylpyrrolidin-3-ol;palladium is C.CN1CCC(O)C1.COC(=O)c1ccncc1Br.COC(=O)c1ccncc1Nc1cn(C2CCN(C)C2)nc1C.COC(=O)c1ccncc1Nc1cnn(C2CCN(C)C2)c1C.Cc1[nH]ncc1[N+](=O)[O-].Cc1c(N)cnn1C1CCN(C)C1.Cc1c([N+](=O)[O-])cnn1C1CCN(C)C1.Cc1nn(C2CCN(C)C2)cc1N.Cc1nn(C2CCN(C)C2)cc1[N+](=O)[O-].[CH3-].[Pd].
What is the InChIKey of carbanide;methane;methyl 3-bromopyridine-4-carboxylate;methyl 3-[[3-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]amino]pyridine-4-carboxylate;methyl 3-[[5-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]amino]pyridine-4-carboxylate;3-methyl-1-(1-methylpyrrolidin-3-yl)-4-nitropyrazole;5-methyl-1-(1-methylpyrrolidin-3-yl)-4-nitropyrazole;3-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-4-amine;5-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-4-amine;5-methyl-4-nitro-1H-pyrazole;1-methylpyrrolidin-3-ol;palladium?
The InChIKey is FVARHRLFFIHYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H21N5O2.2C9H14N4O2.2C9H16N4.C7H6BrNO2.C5H11NO.C4H5N3O2.CH4.CH3.Pd/c1-11-14(9-18-21(11)12-5-7-20(2)10-12)19-15-8-17-6-4-13(15)16(22)23-3;1-11-15(10-21(19-11)12-5-7-20(2)9-12)18-14-8-17-6-4-13(14)16(22)23-3;1-7-9(13(14)15)5-10-12(7)8-3-4-11(2)6-8;1-7-9(13(14)15)6-12(10-7)8-3-4-11(2)5-8;1-7-9(10)5-11-13(7)8-3-4-12(2)6-8;1-7-9(10)6-13(11-7)8-3-4-12(2)5-8;1-11-7(10)5-2-3-9-4-6(5)8;1-6-3-2-5(7)4-6;1-3-4(7(8)9)2-5-6-3;;;/h4,6,8-9,12,19H,5,7,10H2,1-3H3;4,6,8,10,12,18H,5,7,9H2,1-3H3;5,8H,3-4,6H2,1-2H3;6,8H,3-5H2,1-2H3;5,8H,3-4,6,10H2,1-2H3;6,8H,3-5,10H2,1-2H3;2-4H,1H3;5,7H,2-4H2,1H3;2H,1H3,(H,5,6);1H4;1H3;/q;;;;;;;;;;-1;.
What are the key properties of carbanide;methane;methyl 3-bromopyridine-4-carboxylate;methyl 3-[[3-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]amino]pyridine-4-carboxylate;methyl 3-[[5-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]amino]pyridine-4-carboxylate;3-methyl-1-(1-methylpyrrolidin-3-yl)-4-nitropyrazole;5-methyl-1-(1-methylpyrrolidin-3-yl)-4-nitropyrazole;3-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-4-amine;5-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-4-amine;5-methyl-4-nitro-1H-pyrazole;1-methylpyrrolidin-3-ol;palladium?
carbanide;methane;methyl 3-bromopyridine-4-carboxylate;methyl 3-[[3-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]amino]pyridine-4-carboxylate;methyl 3-[[5-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]amino]pyridine-4-carboxylate;3-methyl-1-(1-methylpyrrolidin-3-yl)-4-nitropyrazole;5-methyl-1-(1-methylpyrrolidin-3-yl)-4-nitropyrazole;3-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-4-amine;5-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-4-amine;5-methyl-4-nitro-1H-pyrazole;1-methylpyrrolidin-3-ol;palladium has a molecular weight of 1993.52 g/mol, XLogP of 10.26, 16 rotatable bonds, 6 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;methane;methyl 3-bromopyridine-4-carboxylate;methyl 3-[[3-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]amino]pyridine-4-carboxylate;methyl 3-[[5-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]amino]pyridine-4-carboxylate;3-methyl-1-(1-methylpyrrolidin-3-yl)-4-nitropyrazole;5-methyl-1-(1-methylpyrrolidin-3-yl)-4-nitropyrazole;3-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-4-amine;5-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-4-amine;5-methyl-4-nitro-1H-pyrazole;1-methylpyrrolidin-3-ol;palladium is sourced from PubChem (CID 158658171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).