lithium;1-(2,2-difluoroethyl)pyrazole-3-carbaldehyde;4-[1-[1-(2,2-difluoroethyl)pyrazol-3-yl]ethyl]pyridine;[1-(2,2-difluoroethyl)pyrazol-3-yl]-pyridin-4-ylmethanol;[1-(2,2-difluoroethyl)pyrazol-3-yl]-pyridin-4-ylmethanone;2,2-difluoroethyl trifluoromethanesulfonate;dioxomanganese;4-iodopyridine;1H-pyrazole-5-carbaldehyde;2,2,2-trideuterio-1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-1-pyridin-4-ylethanol;trideuteriomethane;zinc

C65H66F15ILiMnN17O10SZn — CID 163687590

IUPAClithium;1-(2,2-difluoroethyl)pyrazole-3-carbaldehyde;4-[1-[1-(2,2-difluoroethyl)pyrazol-3-yl]ethyl]pyridine;[1-(2,2-difluoroethyl)pyrazol-3-yl]-pyridin-4-ylmethanol;[1-(2,2-difluoroethyl)pyrazol-3-yl]-pyridin-4-ylmethanone;2,2-difluoroethyl trifluoromethanesulfonate;dioxomanganese;4-iodopyridine;1H-pyrazole-5-carbaldehyde;2,2,2-trideuterio-1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-1-pyridin-4-ylethanol;trideuteriomethane;zinc
SMILESCC(c1ccncc1)c1ccn(CC(F)F)n1.Ic1ccncc1.O=C(c1ccncc1)c1ccn(CC(F)F)n1.O=Cc1ccn(CC(F)F)n1.O=Cc1ccn[nH]1.O=S(=O)(OCC(F)F)C(F)(F)F.O=[Mn]=O.OC(c1ccncc1)c1ccn(CC(F)F)n1.[2H]C([2H])([2H])C(O)(c1ccncc1)c1ccn(CC(F)F)n1.[2H][C-]([2H])[2H].[Li+].[Zn]
InChIInChI=1S/C12H13F2N3O.C12H13F2N3.C11H11F2N3O.C11H9F2N3O.C6H6F2N2O.C5H4IN.C4H4N2O.C3H3F5O3S.CH3.Li.Mn.2O.Zn/c1-12(18,9-2-5-15-6-3-9)10-4-7-17(16-10)8-11(13)14;1-9(10-2-5-15-6-3-10)11-4-7-17(16-11)8-12(13)14;2*12-10(13)7-16-6-3-9(15-16)11(17)8-1-4-14-5-2-8;7-6(8)3-10-2-1-5(4-11)9-10;6-5-1-3-7-4-2-5;7-3-4-1-2-5-6-4;4-2(5)1-11-12(9,10)3(6,7)8;;;;;;/h2-7,11,18H,8H2,1H3;2-7,9,12H,8H2,1H3;1-6,10-11,17H,7H2;1-6,10H,7H2;1-2,4,6H,3H2;1-4H;1-3H,(H,5,6);2H,1H2;1H3;;;;;/q;;;;;;;;-1;+1;;;;/i1D3;;;;;;;;1D3;;;;;
InChIKeyQNMREZFYBJOENM-HMQIHHQYSA-N
MW1822.60 g/mol
LogP9.09
Rot. Bonds24

About lithium;1-(2,2-difluoroethyl)pyrazole-3-carbaldehyde;4-[1-[1-(2,2-difluoroethyl)pyrazol-3-yl]ethyl]pyridine;[1-(2,2-difluoroethyl)pyrazol-3-yl]-pyridin-4-ylmethanol;[1-(2,2-difluoroethyl)pyrazol-3-yl]-pyridin-4-ylmethanone;2,2-difluoroethyl trifluoromethanesulfonate;dioxomanganese;4-iodopyridine;1H-pyrazole-5-carbaldehyde;2,2,2-trideuterio-1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-1-pyridin-4-ylethanol;trideuteriomethane;zinc

lithium;1-(2,2-difluoroethyl)pyrazole-3-carbaldehyde;4-[1-[1-(2,2-difluoroethyl)pyrazol-3-yl]ethyl]pyridine;[1-(2,2-difluoroethyl)pyrazol-3-yl]-pyridin-4-ylmethanol;[1-(2,2-difluoroethyl)pyrazol-3-yl]-pyridin-4-ylmethanone;2,2-difluoroethyl trifluoromethanesulfonate;dioxomanganese;4-iodopyridine;1H-pyrazole-5-carbaldehyde;2,2,2-trideuterio-1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-1-pyridin-4-ylethanol;trideuteriomethane;zinc (PubChem CID 163687590) has the molecular formula C65H66F15ILiMnN17O10SZn and a molecular weight of 1822.60 g/mol. Its IUPAC name is lithium;1-(2,2-difluoroethyl)pyrazole-3-carbaldehyde;4-[1-[1-(2,2-difluoroethyl)pyrazol-3-yl]ethyl]pyridine;[1-(2,2-difluoroethyl)pyrazol-3-yl]-pyridin-4-ylmethanol;[1-(2,2-difluoroethyl)pyrazol-3-yl]-pyridin-4-ylmethanone;2,2-difluoroethyl trifluoromethanesulfonate;dioxomanganese;4-iodopyridine;1H-pyrazole-5-carbaldehyde;2,2,2-trideuterio-1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-1-pyridin-4-ylethanol;trideuteriomethane;zinc.

Molecular Properties

Compound Namelithium;1-(2,2-difluoroethyl)pyrazole-3-carbaldehyde;4-[1-[1-(2,2-difluoroethyl)pyrazol-3-yl]ethyl]pyridine;[1-(2,2-difluoroethyl)pyrazol-3-yl]-pyridin-4-ylmethanol;[1-(2,2-difluoroethyl)pyrazol-3-yl]-pyridin-4-ylmethanone;2,2-difluoroethyl trifluoromethanesulfonate;dioxomanganese;4-iodopyridine;1H-pyrazole-5-carbaldehyde;2,2,2-trideuterio-1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-1-pyridin-4-ylethanol;trideuteriomethane;zinc
PubChem CID163687590
Molecular FormulaC65H66F15ILiMnN17O10SZn
Molecular Weight1822.60 g/mol
Exact Mass1820.29
IUPAC Namelithium;1-(2,2-difluoroethyl)pyrazole-3-carbaldehyde;4-[1-[1-(2,2-difluoroethyl)pyrazol-3-yl]ethyl]pyridine;[1-(2,2-difluoroethyl)pyrazol-3-yl]-pyridin-4-ylmethanol;[1-(2,2-difluoroethyl)pyrazol-3-yl]-pyridin-4-ylmethanone;2,2-difluoroethyl trifluoromethanesulfonate;dioxomanganese;4-iodopyridine;1H-pyrazole-5-carbaldehyde;2,2,2-trideuterio-1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-1-pyridin-4-ylethanol;trideuteriomethane;zinc
SMILESCC(c1ccncc1)c1ccn(CC(F)F)n1.Ic1ccncc1.O=C(c1ccncc1)c1ccn(CC(F)F)n1.O=Cc1ccn(CC(F)F)n1.O=Cc1ccn[nH]1.O=S(=O)(OCC(F)F)C(F)(F)F.O=[Mn]=O.OC(c1ccncc1)c1ccn(CC(F)F)n1.[2H]C([2H])([2H])C(O)(c1ccncc1)c1ccn(CC(F)F)n1.[2H][C-]([2H])[2H].[Li+].[Zn]
InChIInChI=1S/C12H13F2N3O.C12H13F2N3.C11H11F2N3O.C11H9F2N3O.C6H6F2N2O.C5H4IN.C4H4N2O.C3H3F5O3S.CH3.Li.Mn.2O.Zn/c1-12(18,9-2-5-15-6-3-9)10-4-7-17(16-10)8-11(13)14;1-9(10-2-5-15-6-3-10)11-4-7-17(16-11)8-12(13)14;2*12-10(13)7-16-6-3-9(15-16)11(17)8-1-4-14-5-2-8;7-6(8)3-10-2-1-5(4-11)9-10;6-5-1-3-7-4-2-5;7-3-4-1-2-5-6-4;4-2(5)1-11-12(9,10)3(6,7)8;;;;;;/h2-7,11,18H,8H2,1H3;2-7,9,12H,8H2,1H3;1-6,10-11,17H,7H2;1-6,10H,7H2;1-2,4,6H,3H2;1-4H;1-3H,(H,5,6);2H,1H2;1H3;;;;;/q;;;;;;;;-1;+1;;;;/i1D3;;;;;;;;1D3;;;;;
InChIKeyQNMREZFYBJOENM-HMQIHHQYSA-N
XLogP9.09
TPSA351.41 Ų
H-Bond Donors3
H-Bond Acceptors26
Rotatable Bonds24
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001822.60
LogP ≤ 59.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze lithium;1-(2,2-difluoroethyl)pyrazole-3-carbaldehyde;4-[1-[1-(2,2-difluoroethyl)pyrazol-3-yl]ethyl]pyridine;[1-(2,2-difluoroethyl)pyrazol-3-yl]-pyridin-4-ylmethanol;[1-(2,2-difluoroethyl)pyrazol-3-yl]-pyridin-4-ylmethanone;2,2-difluoroethyl trifluoromethanesulfonate;dioxomanganese;4-iodopyridine;1H-pyrazole-5-carbaldehyde;2,2,2-trideuterio-1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-1-pyridin-4-ylethanol;trideuteriomethane;zinc with MolForge

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Related Compounds

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
1-[1-(2,2-difluoroethyl)pyrazol-3-yl]ethanone;4-[1-[1-(2,2-difluoroethyl)pyrazol-3-yl]ethyl]pyridine;1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-1-pyridin-4-ylethanol;2,2-difluoroethyl trifluoromethanesulfonate;4-iodopyridine;1-(1H-pyrazol-5-yl)ethanone;zinc
CID 163797632
magnesium;carbanide;dioxomanganese;3-fluoro-4-iodopyridine;1-(3-fluoro-4-pyridinyl)-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethanol;(3-fluoro-4-pyridinyl)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol;(3-fluoro-4-pyridinyl)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanone;3-fluoro-4-[(1R)-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethyl]pyridine;3-fluoro-4-[(1S)-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethyl]pyridine;3-fluoro-4-[1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethyl]pyridine;1-(2,2,2-trifluoroethyl)pyrazole-3-carbaldehyde;zinc;bromide
CID 164026130
Magnesium;carbanide;3-chloro-4-iodopyridine;1-(3-chloro-4-pyridinyl)-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethanol;(3-chloro-4-pyridinyl)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol;(3-chloro-4-pyridinyl)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanone;3-chloro-4-[1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethyl]pyridine;dioxomanganese;1-(2,2,2-trifluoroethyl)pyrazole-3-carbaldehyde;ZINC;bromide
CID 164141680
magnesium;carbanide;dioxomanganese;1-[1-(oxan-2-yl)pyrazol-3-yl]-1-pyridin-4-ylethanol;[1-(oxan-2-yl)pyrazol-3-yl]-pyridin-4-ylmethanol;[1-(oxan-2-yl)pyrazol-3-yl]-pyridin-4-ylmethanone;4-[1-(1H-pyrazol-5-yl)ethyl]pyridine;zinc;bromide
CID 163570902

Frequently Asked Questions

What is the IUPAC name of lithium;1-(2,2-difluoroethyl)pyrazole-3-carbaldehyde;4-[1-[1-(2,2-difluoroethyl)pyrazol-3-yl]ethyl]pyridine;[1-(2,2-difluoroethyl)pyrazol-3-yl]-pyridin-4-ylmethanol;[1-(2,2-difluoroethyl)pyrazol-3-yl]-pyridin-4-ylmethanone;2,2-difluoroethyl trifluoromethanesulfonate;dioxomanganese;4-iodopyridine;1H-pyrazole-5-carbaldehyde;2,2,2-trideuterio-1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-1-pyridin-4-ylethanol;trideuteriomethane;zinc?
The IUPAC name of lithium;1-(2,2-difluoroethyl)pyrazole-3-carbaldehyde;4-[1-[1-(2,2-difluoroethyl)pyrazol-3-yl]ethyl]pyridine;[1-(2,2-difluoroethyl)pyrazol-3-yl]-pyridin-4-ylmethanol;[1-(2,2-difluoroethyl)pyrazol-3-yl]-pyridin-4-ylmethanone;2,2-difluoroethyl trifluoromethanesulfonate;dioxomanganese;4-iodopyridine;1H-pyrazole-5-carbaldehyde;2,2,2-trideuterio-1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-1-pyridin-4-ylethanol;trideuteriomethane;zinc (CID 163687590) is lithium;1-(2,2-difluoroethyl)pyrazole-3-carbaldehyde;4-[1-[1-(2,2-difluoroethyl)pyrazol-3-yl]ethyl]pyridine;[1-(2,2-difluoroethyl)pyrazol-3-yl]-pyridin-4-ylmethanol;[1-(2,2-difluoroethyl)pyrazol-3-yl]-pyridin-4-ylmethanone;2,2-difluoroethyl trifluoromethanesulfonate;dioxomanganese;4-iodopyridine;1H-pyrazole-5-carbaldehyde;2,2,2-trideuterio-1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-1-pyridin-4-ylethanol;trideuteriomethane;zinc.
What is the SMILES notation for lithium;1-(2,2-difluoroethyl)pyrazole-3-carbaldehyde;4-[1-[1-(2,2-difluoroethyl)pyrazol-3-yl]ethyl]pyridine;[1-(2,2-difluoroethyl)pyrazol-3-yl]-pyridin-4-ylmethanol;[1-(2,2-difluoroethyl)pyrazol-3-yl]-pyridin-4-ylmethanone;2,2-difluoroethyl trifluoromethanesulfonate;dioxomanganese;4-iodopyridine;1H-pyrazole-5-carbaldehyde;2,2,2-trideuterio-1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-1-pyridin-4-ylethanol;trideuteriomethane;zinc?
The canonical SMILES for lithium;1-(2,2-difluoroethyl)pyrazole-3-carbaldehyde;4-[1-[1-(2,2-difluoroethyl)pyrazol-3-yl]ethyl]pyridine;[1-(2,2-difluoroethyl)pyrazol-3-yl]-pyridin-4-ylmethanol;[1-(2,2-difluoroethyl)pyrazol-3-yl]-pyridin-4-ylmethanone;2,2-difluoroethyl trifluoromethanesulfonate;dioxomanganese;4-iodopyridine;1H-pyrazole-5-carbaldehyde;2,2,2-trideuterio-1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-1-pyridin-4-ylethanol;trideuteriomethane;zinc is CC(c1ccncc1)c1ccn(CC(F)F)n1.Ic1ccncc1.O=C(c1ccncc1)c1ccn(CC(F)F)n1.O=Cc1ccn(CC(F)F)n1.O=Cc1ccn[nH]1.O=S(=O)(OCC(F)F)C(F)(F)F.O=[Mn]=O.OC(c1ccncc1)c1ccn(CC(F)F)n1.[2H]C([2H])([2H])C(O)(c1ccncc1)c1ccn(CC(F)F)n1.[2H][C-]([2H])[2H].[Li+].[Zn].
What is the InChIKey of lithium;1-(2,2-difluoroethyl)pyrazole-3-carbaldehyde;4-[1-[1-(2,2-difluoroethyl)pyrazol-3-yl]ethyl]pyridine;[1-(2,2-difluoroethyl)pyrazol-3-yl]-pyridin-4-ylmethanol;[1-(2,2-difluoroethyl)pyrazol-3-yl]-pyridin-4-ylmethanone;2,2-difluoroethyl trifluoromethanesulfonate;dioxomanganese;4-iodopyridine;1H-pyrazole-5-carbaldehyde;2,2,2-trideuterio-1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-1-pyridin-4-ylethanol;trideuteriomethane;zinc?
The InChIKey is QNMREZFYBJOENM-HMQIHHQYSA-N. The full InChI is InChI=1S/C12H13F2N3O.C12H13F2N3.C11H11F2N3O.C11H9F2N3O.C6H6F2N2O.C5H4IN.C4H4N2O.C3H3F5O3S.CH3.Li.Mn.2O.Zn/c1-12(18,9-2-5-15-6-3-9)10-4-7-17(16-10)8-11(13)14;1-9(10-2-5-15-6-3-10)11-4-7-17(16-11)8-12(13)14;2*12-10(13)7-16-6-3-9(15-16)11(17)8-1-4-14-5-2-8;7-6(8)3-10-2-1-5(4-11)9-10;6-5-1-3-7-4-2-5;7-3-4-1-2-5-6-4;4-2(5)1-11-12(9,10)3(6,7)8;;;;;;/h2-7,11,18H,8H2,1H3;2-7,9,12H,8H2,1H3;1-6,10-11,17H,7H2;1-6,10H,7H2;1-2,4,6H,3H2;1-4H;1-3H,(H,5,6);2H,1H2;1H3;;;;;/q;;;;;;;;-1;+1;;;;/i1D3;;;;;;;;1D3;;;;;.
What are the key properties of lithium;1-(2,2-difluoroethyl)pyrazole-3-carbaldehyde;4-[1-[1-(2,2-difluoroethyl)pyrazol-3-yl]ethyl]pyridine;[1-(2,2-difluoroethyl)pyrazol-3-yl]-pyridin-4-ylmethanol;[1-(2,2-difluoroethyl)pyrazol-3-yl]-pyridin-4-ylmethanone;2,2-difluoroethyl trifluoromethanesulfonate;dioxomanganese;4-iodopyridine;1H-pyrazole-5-carbaldehyde;2,2,2-trideuterio-1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-1-pyridin-4-ylethanol;trideuteriomethane;zinc?
lithium;1-(2,2-difluoroethyl)pyrazole-3-carbaldehyde;4-[1-[1-(2,2-difluoroethyl)pyrazol-3-yl]ethyl]pyridine;[1-(2,2-difluoroethyl)pyrazol-3-yl]-pyridin-4-ylmethanol;[1-(2,2-difluoroethyl)pyrazol-3-yl]-pyridin-4-ylmethanone;2,2-difluoroethyl trifluoromethanesulfonate;dioxomanganese;4-iodopyridine;1H-pyrazole-5-carbaldehyde;2,2,2-trideuterio-1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-1-pyridin-4-ylethanol;trideuteriomethane;zinc has a molecular weight of 1822.60 g/mol, XLogP of 9.09, 24 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;1-(2,2-difluoroethyl)pyrazole-3-carbaldehyde;4-[1-[1-(2,2-difluoroethyl)pyrazol-3-yl]ethyl]pyridine;[1-(2,2-difluoroethyl)pyrazol-3-yl]-pyridin-4-ylmethanol;[1-(2,2-difluoroethyl)pyrazol-3-yl]-pyridin-4-ylmethanone;2,2-difluoroethyl trifluoromethanesulfonate;dioxomanganese;4-iodopyridine;1H-pyrazole-5-carbaldehyde;2,2,2-trideuterio-1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-1-pyridin-4-ylethanol;trideuteriomethane;zinc is sourced from PubChem (CID 163687590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).