magnesium;tert-butyl 3-[methoxy(methyl)carbamoyl]pyrazole-1-carboxylate;carbanide;4-iodopyridine;N-methoxymethanamine;N-methoxy-N-methyl-1H-pyrazole-5-carboxamide;1H-pyrazole-5-carboxylic acid;1-(1H-pyrazol-5-yl)ethanone;1-pyridin-4-yl-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethanol;1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethanone;4-[(1R)-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethyl]pyridine;4-[(1S)-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethyl]pyridine;4-[1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethyl]pyridine;1,1,1-trifluoropropane;zinc;bromide;hydrochloride

C92H111BrClF18IMgN26O12Zn — CID 163547073

About magnesium;tert-butyl 3-[methoxy(methyl)carbamoyl]pyrazole-1-carboxylate;carbanide;4-iodopyridine;N-methoxymethanamine;N-methoxy-N-methyl-1H-pyrazole-5-carboxamide;1H-pyrazole-5-carboxylic acid;1-(1H-pyrazol-5-yl)ethanone;1-pyridin-4-yl-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethanol;1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethanone;4-[(1R)-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethyl]pyridine;4-[(1S)-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethyl]pyridine;4-[1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethyl]pyridine;1,1,1-trifluoropropane;zinc;bromide;hydrochloride

magnesium;tert-butyl 3-[methoxy(methyl)carbamoyl]pyrazole-1-carboxylate;carbanide;4-iodopyridine;N-methoxymethanamine;N-methoxy-N-methyl-1H-pyrazole-5-carboxamide;1H-pyrazole-5-carboxylic acid;1-(1H-pyrazol-5-yl)ethanone;1-pyridin-4-yl-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethanol;1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethanone;4-[(1R)-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethyl]pyridine;4-[(1S)-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethyl]pyridine;4-[1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethyl]pyridine;1,1,1-trifluoropropane;zinc;bromide;hydrochloride (PubChem CID 163547073) has the molecular formula C92H111BrClF18IMgN26O12Zn and a molecular weight of 2446.99 g/mol. Its IUPAC name is magnesium;tert-butyl 3-[methoxy(methyl)carbamoyl]pyrazole-1-carboxylate;carbanide;4-iodopyridine;N-methoxymethanamine;N-methoxy-N-methyl-1H-pyrazole-5-carboxamide;1H-pyrazole-5-carboxylic acid;1-(1H-pyrazol-5-yl)ethanone;1-pyridin-4-yl-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethanol;1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethanone;4-[(1R)-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethyl]pyridine;4-[(1S)-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethyl]pyridine;4-[1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethyl]pyridine;1,1,1-trifluoropropane;zinc;bromide;hydrochloride.

Molecular Properties

• Compound Name: magnesium;tert-butyl 3-[methoxy(methyl)carbamoyl]pyrazole-1-carboxylate;carbanide;4-iodopyridine;N-methoxymethanamine;N-methoxy-N-methyl-1H-pyrazole-5-carboxamide;1H-pyrazole-5-carboxylic acid;1-(1H-pyrazol-5-yl)ethanone;1-pyridin-4-yl-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethanol;1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethanone;4-[(1R)-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethyl]pyridine;4-[(1S)-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethyl]pyridine;4-[1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethyl]pyridine;1,1,1-trifluoropropane;zinc;bromide;hydrochloride
• PubChem CID: 163547073
• Molecular Formula: C92H111BrClF18IMgN26O12Zn
• Molecular Weight: 2446.99 g/mol
• Exact Mass: 2442.56
• IUPAC Name: magnesium;tert-butyl 3-[methoxy(methyl)carbamoyl]pyrazole-1-carboxylate;carbanide;4-iodopyridine;N-methoxymethanamine;N-methoxy-N-methyl-1H-pyrazole-5-carboxamide;1H-pyrazole-5-carboxylic acid;1-(1H-pyrazol-5-yl)ethanone;1-pyridin-4-yl-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethanol;1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethanone;4-[(1R)-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethyl]pyridine;4-[(1S)-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethyl]pyridine;4-[1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethyl]pyridine;1,1,1-trifluoropropane;zinc;bromide;hydrochloride
• SMILES: CC(=O)c1ccn(CC(F)(F)F)n1.CC(=O)c1ccn[nH]1.CC(O)(c1ccncc1)c1ccn(CC(F)(F)F)n1.CC(c1ccncc1)c1ccn(CC(F)(F)F)n1.CCC(F)(F)F.CNOC.CON(C)C(=O)c1ccn(C(=O)OC(C)(C)C)n1.CON(C)C(=O)c1ccn[nH]1.C[C@@H](c1ccncc1)c1ccn(CC(F)(F)F)n1.C[C@H](c1ccncc1)c1ccn(CC(F)(F)F)n1.Cl.Ic1ccncc1.O=C(O)c1ccn[nH]1.[Br-].[CH3-].[Mg+2].[Zn]
• InChI: InChI=1S/C12H12F3N3O.3C12H12F3N3.C11H17N3O4.C7H7F3N2O.C6H9N3O2.C5H4IN.C5H6N2O.C4H4N2O2.C3H5F3.C2H7NO.CH3.BrH.ClH.Mg.Zn/c1-11(19,9-2-5-16-6-3-9)10-4-7-18(17-10)8-12(13,14)15;3*1-9(10-2-5-16-6-3-10)11-4-7-18(17-11)8-12(13,14)15;1-11(2,3)18-10(16)14-7-6-8(12-14)9(15)13(4)17-5;1-5(13)6-2-3-12(11-6)4-7(8,9)10;1-9(11-2)6(10)5-3-4-7-8-5;6-5-1-3-7-4-2-5;1-4(8)5-2-3-6-7-5;7-4(8)3-1-2-5-6-3;1-2-3(4,5)6;1-3-4-2;;;;;/h2-7,19H,8H2,1H3;3*2-7,9H,8H2,1H3;6-7H,1-5H3;2-3H,4H2,1H3;3-4H,1-2H3,(H,7,8);1-4H;2-3H,1H3,(H,6,7);1-2H,(H,5,6)(H,7,8);2H2,1H3;3H,1-2H3;1H3;2*1H;;/q;;;;;;;;;;;;-1;;;+2;/p-1/t;2*9-;;;;;;;;;;;;;;/m.10............../s1
• InChIKey: RFDPSTIYLVGSSO-ZFILDLPLSA-M
• XLogP: 15.69
• TPSA: 455.72 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 32
• Rotatable Bonds: 21
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2446.99
LogP ≤ 5	15.69
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of magnesium;tert-butyl 3-[methoxy(methyl)carbamoyl]pyrazole-1-carboxylate;carbanide;4-iodopyridine;N-methoxymethanamine;N-methoxy-N-methyl-1H-pyrazole-5-carboxamide;1H-pyrazole-5-carboxylic acid;1-(1H-pyrazol-5-yl)ethanone;1-pyridin-4-yl-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethanol;1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethanone;4-[(1R)-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethyl]pyridine;4-[(1S)-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethyl]pyridine;4-[1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethyl]pyridine;1,1,1-trifluoropropane;zinc;bromide;hydrochloride?

The IUPAC name of magnesium;tert-butyl 3-[methoxy(methyl)carbamoyl]pyrazole-1-carboxylate;carbanide;4-iodopyridine;N-methoxymethanamine;N-methoxy-N-methyl-1H-pyrazole-5-carboxamide;1H-pyrazole-5-carboxylic acid;1-(1H-pyrazol-5-yl)ethanone;1-pyridin-4-yl-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethanol;1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethanone;4-[(1R)-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethyl]pyridine;4-[(1S)-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethyl]pyridine;4-[1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethyl]pyridine;1,1,1-trifluoropropane;zinc;bromide;hydrochloride (CID 163547073) is magnesium;tert-butyl 3-[methoxy(methyl)carbamoyl]pyrazole-1-carboxylate;carbanide;4-iodopyridine;N-methoxymethanamine;N-methoxy-N-methyl-1H-pyrazole-5-carboxamide;1H-pyrazole-5-carboxylic acid;1-(1H-pyrazol-5-yl)ethanone;1-pyridin-4-yl-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethanol;1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethanone;4-[(1R)-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethyl]pyridine;4-[(1S)-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethyl]pyridine;4-[1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethyl]pyridine;1,1,1-trifluoropropane;zinc;bromide;hydrochloride.

What is the SMILES notation for magnesium;tert-butyl 3-[methoxy(methyl)carbamoyl]pyrazole-1-carboxylate;carbanide;4-iodopyridine;N-methoxymethanamine;N-methoxy-N-methyl-1H-pyrazole-5-carboxamide;1H-pyrazole-5-carboxylic acid;1-(1H-pyrazol-5-yl)ethanone;1-pyridin-4-yl-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethanol;1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethanone;4-[(1R)-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethyl]pyridine;4-[(1S)-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethyl]pyridine;4-[1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethyl]pyridine;1,1,1-trifluoropropane;zinc;bromide;hydrochloride?

The canonical SMILES for magnesium;tert-butyl 3-[methoxy(methyl)carbamoyl]pyrazole-1-carboxylate;carbanide;4-iodopyridine;N-methoxymethanamine;N-methoxy-N-methyl-1H-pyrazole-5-carboxamide;1H-pyrazole-5-carboxylic acid;1-(1H-pyrazol-5-yl)ethanone;1-pyridin-4-yl-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethanol;1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethanone;4-[(1R)-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethyl]pyridine;4-[(1S)-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethyl]pyridine;4-[1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethyl]pyridine;1,1,1-trifluoropropane;zinc;bromide;hydrochloride is CC(=O)c1ccn(CC(F)(F)F)n1.CC(=O)c1ccn[nH]1.CC(O)(c1ccncc1)c1ccn(CC(F)(F)F)n1.CC(c1ccncc1)c1ccn(CC(F)(F)F)n1.CCC(F)(F)F.CNOC.CON(C)C(=O)c1ccn(C(=O)OC(C)(C)C)n1.CON(C)C(=O)c1ccn[nH]1.C[C@@H](c1ccncc1)c1ccn(CC(F)(F)F)n1.C[C@H](c1ccncc1)c1ccn(CC(F)(F)F)n1.Cl.Ic1ccncc1.O=C(O)c1ccn[nH]1.[Br-].[CH3-].[Mg+2].[Zn].

What is the InChIKey of magnesium;tert-butyl 3-[methoxy(methyl)carbamoyl]pyrazole-1-carboxylate;carbanide;4-iodopyridine;N-methoxymethanamine;N-methoxy-N-methyl-1H-pyrazole-5-carboxamide;1H-pyrazole-5-carboxylic acid;1-(1H-pyrazol-5-yl)ethanone;1-pyridin-4-yl-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethanol;1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethanone;4-[(1R)-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethyl]pyridine;4-[(1S)-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethyl]pyridine;4-[1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethyl]pyridine;1,1,1-trifluoropropane;zinc;bromide;hydrochloride?

The InChIKey is RFDPSTIYLVGSSO-ZFILDLPLSA-M. The full InChI is InChI=1S/C12H12F3N3O.3C12H12F3N3.C11H17N3O4.C7H7F3N2O.C6H9N3O2.C5H4IN.C5H6N2O.C4H4N2O2.C3H5F3.C2H7NO.CH3.BrH.ClH.Mg.Zn/c1-11(19,9-2-5-16-6-3-9)10-4-7-18(17-10)8-12(13,14)15;3*1-9(10-2-5-16-6-3-10)11-4-7-18(17-11)8-12(13,14)15;1-11(2,3)18-10(16)14-7-6-8(12-14)9(15)13(4)17-5;1-5(13)6-2-3-12(11-6)4-7(8,9)10;1-9(11-2)6(10)5-3-4-7-8-5;6-5-1-3-7-4-2-5;1-4(8)5-2-3-6-7-5;7-4(8)3-1-2-5-6-3;1-2-3(4,5)6;1-3-4-2;;;;;/h2-7,19H,8H2,1H3;3*2-7,9H,8H2,1H3;6-7H,1-5H3;2-3H,4H2,1H3;3-4H,1-2H3,(H,7,8);1-4H;2-3H,1H3,(H,6,7);1-2H,(H,5,6)(H,7,8);2H2,1H3;3H,1-2H3;1H3;2*1H;;/q;;;;;;;;;;;;-1;;;+2;/p-1/t;2*9-;;;;;;;;;;;;;;/m.10............../s1.

What are the key properties of magnesium;tert-butyl 3-[methoxy(methyl)carbamoyl]pyrazole-1-carboxylate;carbanide;4-iodopyridine;N-methoxymethanamine;N-methoxy-N-methyl-1H-pyrazole-5-carboxamide;1H-pyrazole-5-carboxylic acid;1-(1H-pyrazol-5-yl)ethanone;1-pyridin-4-yl-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethanol;1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethanone;4-[(1R)-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethyl]pyridine;4-[(1S)-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethyl]pyridine;4-[1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethyl]pyridine;1,1,1-trifluoropropane;zinc;bromide;hydrochloride?

magnesium;tert-butyl 3-[methoxy(methyl)carbamoyl]pyrazole-1-carboxylate;carbanide;4-iodopyridine;N-methoxymethanamine;N-methoxy-N-methyl-1H-pyrazole-5-carboxamide;1H-pyrazole-5-carboxylic acid;1-(1H-pyrazol-5-yl)ethanone;1-pyridin-4-yl-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethanol;1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethanone;4-[(1R)-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethyl]pyridine;4-[(1S)-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethyl]pyridine;4-[1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethyl]pyridine;1,1,1-trifluoropropane;zinc;bromide;hydrochloride has a molecular weight of 2446.99 g/mol, XLogP of 15.69, 21 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for magnesium;tert-butyl 3-[methoxy(methyl)carbamoyl]pyrazole-1-carboxylate;carbanide;4-iodopyridine;N-methoxymethanamine;N-methoxy-N-methyl-1H-pyrazole-5-carboxamide;1H-pyrazole-5-carboxylic acid;1-(1H-pyrazol-5-yl)ethanone;1-pyridin-4-yl-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethanol;1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethanone;4-[(1R)-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethyl]pyridine;4-[(1S)-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethyl]pyridine;4-[1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethyl]pyridine;1,1,1-trifluoropropane;zinc;bromide;hydrochloride is sourced from PubChem (CID 163547073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).