4-[1-[4-fluoro-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethyl]pyridine;1-[4-fluoro-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1-pyridin-4-ylethanol;methane;1-pyridin-4-yl-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethanol;zinc

C37H38F11N9O2Zn — CID 163867437

IUPAC4-[1-[4-fluoro-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethyl]pyridine;1-[4-fluoro-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1-pyridin-4-ylethanol;methane;1-pyridin-4-yl-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethanol;zinc
SMILESC.CC(O)(c1ccncc1)c1ccn(CC(F)(F)F)n1.CC(O)(c1ccncc1)c1nn(CC(F)(F)F)cc1F.CC(c1ccncc1)c1nn(CC(F)(F)F)cc1F.[Zn]
InChIInChI=1S/C12H11F4N3O.C12H11F4N3.C12H12F3N3O.CH4.Zn/c1-11(20,8-2-4-17-5-3-8)10-9(13)6-19(18-10)7-12(14,15)16;1-8(9-2-4-17-5-3-9)11-10(13)6-19(18-11)7-12(14,15)16;1-11(19,9-2-5-16-6-3-9)10-4-7-18(17-10)8-12(13,14)15;;/h2-6,20H,7H2,1H3;2-6,8H,7H2,1H3;2-7,19H,8H2,1H3;1H4;
InChIKeyPHVRCXOSZUSJBS-UHFFFAOYSA-N
MW915.14 g/mol
LogP8.10
Rot. Bonds9

About 4-[1-[4-fluoro-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethyl]pyridine;1-[4-fluoro-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1-pyridin-4-ylethanol;methane;1-pyridin-4-yl-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethanol;zinc

4-[1-[4-fluoro-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethyl]pyridine;1-[4-fluoro-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1-pyridin-4-ylethanol;methane;1-pyridin-4-yl-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethanol;zinc (PubChem CID 163867437) has the molecular formula C37H38F11N9O2Zn and a molecular weight of 915.14 g/mol. Its IUPAC name is 4-[1-[4-fluoro-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethyl]pyridine;1-[4-fluoro-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1-pyridin-4-ylethanol;methane;1-pyridin-4-yl-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethanol;zinc.

Molecular Properties

Compound Name4-[1-[4-fluoro-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethyl]pyridine;1-[4-fluoro-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1-pyridin-4-ylethanol;methane;1-pyridin-4-yl-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethanol;zinc
PubChem CID163867437
Molecular FormulaC37H38F11N9O2Zn
Molecular Weight915.14 g/mol
Exact Mass913.23
IUPAC Name4-[1-[4-fluoro-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethyl]pyridine;1-[4-fluoro-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1-pyridin-4-ylethanol;methane;1-pyridin-4-yl-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethanol;zinc
SMILESC.CC(O)(c1ccncc1)c1ccn(CC(F)(F)F)n1.CC(O)(c1ccncc1)c1nn(CC(F)(F)F)cc1F.CC(c1ccncc1)c1nn(CC(F)(F)F)cc1F.[Zn]
InChIInChI=1S/C12H11F4N3O.C12H11F4N3.C12H12F3N3O.CH4.Zn/c1-11(20,8-2-4-17-5-3-8)10-9(13)6-19(18-10)7-12(14,15)16;1-8(9-2-4-17-5-3-9)11-10(13)6-19(18-11)7-12(14,15)16;1-11(19,9-2-5-16-6-3-9)10-4-7-18(17-10)8-12(13,14)15;;/h2-6,20H,7H2,1H3;2-6,8H,7H2,1H3;2-7,19H,8H2,1H3;1H4;
InChIKeyPHVRCXOSZUSJBS-UHFFFAOYSA-N
XLogP8.10
TPSA132.59 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500915.14
LogP ≤ 58.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 4-[1-[4-fluoro-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethyl]pyridine;1-[4-fluoro-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1-pyridin-4-ylethanol;methane;1-pyridin-4-yl-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethanol;zinc with MolForge

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Related Compounds

1-[2,6-Bis(1-methylpyrazol-4-yl)-4-pyridinyl]-4-(3-fluorophenyl)piperidin-4-ol
CID 155263815
1-(Difluoromethyl)-2-methylidene-5-(3-propan-2-ylpyrazol-1-yl)pyridine;bis(3-methyl-5-(3-propan-2-ylpyrazol-1-yl)pyridazine);3-(3-propan-2-ylpyrazol-1-yl)pyridine;2-(6-propan-2-yl-2-pyridinyl)propan-2-ol;2-propan-2-yl-6-(trifluoromethyl)pyridine
CID 160727120
Magnesium;ethane;pyridin-4-yl-[3-(2,2,2-trifluoroethyl)pyrazol-1-yl]methanone;1-pyridin-4-yl-1-[3-(2,2,2-trifluoroethyl)pyrazol-1-yl]propan-1-ol;4-[1-[3-(2,2,2-trifluoroethyl)pyrazol-1-yl]propyl]pyridine;ZINC;bromide
CID 163420849
4-Bromo-3-methylpyridine;(3-methyl-4-pyridinyl)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol;3-methyl-4-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]pyridine;1-(2,2,2-trifluoroethyl)pyrazole-3-carbaldehyde;ZINC
CID 163474992
4-[1-Deuterio-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethyl]pyridine;1-pyridin-4-yl-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethanol
CID 163577832
4-[Chloro-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]pyridine;pyridin-4-yl-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol
CID 163604574
Magnesium;dioxomanganese;ethane;4-methylpyridine;pyridin-4-yl-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol;pyridin-4-yl-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanone;1-(2,2,2-trifluoroethyl)pyrazole-3-carbaldehyde;bromide
CID 163612014
1-Pyridin-4-yl-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethanol;4-[1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethyl]pyridine;ZINC
CID 163781892
1-[4-Fluoro-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1-pyridin-4-ylethanol
CID 163867439
4-Iodopyridine;pyridin-4-yl-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol;1-(2,2,2-trifluoroethyl)pyrazole-3-carbaldehyde;4-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]pyridine;ZINC
CID 163885219
Lithium;pyridin-4-yl-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanone;trideuteriomethane;2,2,2-trideuterio-1-pyridin-4-yl-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethanol;4-[1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethyl]pyridine;ZINC
CID 163976805
1-(3-Fluoro-4-pyridinyl)-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethanol
CID 164026136

Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-fluoro-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethyl]pyridine;1-[4-fluoro-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1-pyridin-4-ylethanol;methane;1-pyridin-4-yl-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethanol;zinc?
The IUPAC name of 4-[1-[4-fluoro-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethyl]pyridine;1-[4-fluoro-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1-pyridin-4-ylethanol;methane;1-pyridin-4-yl-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethanol;zinc (CID 163867437) is 4-[1-[4-fluoro-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethyl]pyridine;1-[4-fluoro-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1-pyridin-4-ylethanol;methane;1-pyridin-4-yl-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethanol;zinc.
What is the SMILES notation for 4-[1-[4-fluoro-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethyl]pyridine;1-[4-fluoro-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1-pyridin-4-ylethanol;methane;1-pyridin-4-yl-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethanol;zinc?
The canonical SMILES for 4-[1-[4-fluoro-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethyl]pyridine;1-[4-fluoro-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1-pyridin-4-ylethanol;methane;1-pyridin-4-yl-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethanol;zinc is C.CC(O)(c1ccncc1)c1ccn(CC(F)(F)F)n1.CC(O)(c1ccncc1)c1nn(CC(F)(F)F)cc1F.CC(c1ccncc1)c1nn(CC(F)(F)F)cc1F.[Zn].
What is the InChIKey of 4-[1-[4-fluoro-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethyl]pyridine;1-[4-fluoro-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1-pyridin-4-ylethanol;methane;1-pyridin-4-yl-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethanol;zinc?
The InChIKey is PHVRCXOSZUSJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F4N3O.C12H11F4N3.C12H12F3N3O.CH4.Zn/c1-11(20,8-2-4-17-5-3-8)10-9(13)6-19(18-10)7-12(14,15)16;1-8(9-2-4-17-5-3-9)11-10(13)6-19(18-11)7-12(14,15)16;1-11(19,9-2-5-16-6-3-9)10-4-7-18(17-10)8-12(13,14)15;;/h2-6,20H,7H2,1H3;2-6,8H,7H2,1H3;2-7,19H,8H2,1H3;1H4;.
What are the key properties of 4-[1-[4-fluoro-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethyl]pyridine;1-[4-fluoro-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1-pyridin-4-ylethanol;methane;1-pyridin-4-yl-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethanol;zinc?
4-[1-[4-fluoro-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethyl]pyridine;1-[4-fluoro-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1-pyridin-4-ylethanol;methane;1-pyridin-4-yl-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethanol;zinc has a molecular weight of 915.14 g/mol, XLogP of 8.10, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-fluoro-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethyl]pyridine;1-[4-fluoro-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1-pyridin-4-ylethanol;methane;1-pyridin-4-yl-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethanol;zinc is sourced from PubChem (CID 163867437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).