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

C24H24F6N6O — CID 163577832

IUPAC4-[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
SMILESCC(O)(c1ccncc1)c1ccn(CC(F)(F)F)n1.[2H]C(C)(c1ccncc1)c1ccn(CC(F)(F)F)n1
InChIInChI=1S/C12H12F3N3O.C12H12F3N3/c1-11(19,9-2-5-16-6-3-9)10-4-7-18(17-10)8-12(13,14)15;1-9(10-2-5-16-6-3-10)11-4-7-18(17-11)8-12(13,14)15/h2-7,19H,8H2,1H3;2-7,9H,8H2,1H3/i;9D
InChIKeyGFAKNPKQPYUWTR-FMPZZHSLSA-N
MW527.49 g/mol
LogP5.09
Rot. Bonds6

About 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

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 (PubChem CID 163577832) has the molecular formula C24H24F6N6O and a molecular weight of 527.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID163577832
Molecular FormulaC24H24F6N6O
Molecular Weight527.49 g/mol
Exact Mass527.20
IUPAC Name4-[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
SMILESCC(O)(c1ccncc1)c1ccn(CC(F)(F)F)n1.[2H]C(C)(c1ccncc1)c1ccn(CC(F)(F)F)n1
InChIInChI=1S/C12H12F3N3O.C12H12F3N3/c1-11(19,9-2-5-16-6-3-9)10-4-7-18(17-10)8-12(13,14)15;1-9(10-2-5-16-6-3-10)11-4-7-18(17-11)8-12(13,14)15/h2-7,19H,8H2,1H3;2-7,9H,8H2,1H3/i;9D
InChIKeyGFAKNPKQPYUWTR-FMPZZHSLSA-N
XLogP5.09
TPSA81.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.49
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

1-{[3-(4-fluorophenyl)-1-(4-methylphenyl)-1H-pyrazol-4-yl]methyl}-4-pyridin-2-ylpiperidin-4-ol
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{1-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-piperidyl}(2-pyridyl)methanol
CID 53193338
2-[2-(4-Fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]hexan-2-ol
CID 21027358
1-[3-(3,4-Difluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-3-phenylpropan-1-ol
CID 21992359
1-[3-(4-Fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-3-pyridin-3-ylpropan-1-ol
CID 21992367
1-[3-(4-Fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-3-phenylbutan-1-ol
CID 21992392
1-[3-(4-Fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-methyl-3-phenylpropan-1-ol
CID 21992407
(3-Fluorophenyl)-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)methanol
CID 22574551
2-{5-[1-(4-Fluorophenyl)-1H-pyrazol-3-yl]-2-pyridinyl}-2-propanol
CID 58302323
2-(5-Fluoro-2-pyridinyl)-2-pyrazol-1-yl-1,1-dipyridin-3-ylethanol
CID 66962323
2-[4-(3,5-Dipyridin-2-ylpyrazol-1-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 87457278
(2R)-2-[5-(3-cyclopropylpyrazolo[1,5-a]pyridin-2-yl)pyridin-3-yl]-1,1,1-trifluoropropan-2-ol
CID 117607326

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(O)(c1ccncc1)c1ccn(CC(F)(F)F)n1.[2H]C(C)(c1ccncc1)c1ccn(CC(F)(F)F)n1.
What is the InChIKey of 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?
The InChIKey is GFAKNPKQPYUWTR-FMPZZHSLSA-N. The full InChI is InChI=1S/C12H12F3N3O.C12H12F3N3/c1-11(19,9-2-5-16-6-3-9)10-4-7-18(17-10)8-12(13,14)15;1-9(10-2-5-16-6-3-10)11-4-7-18(17-11)8-12(13,14)15/h2-7,19H,8H2,1H3;2-7,9H,8H2,1H3/i;9D.
What are the key properties of 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?
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 has a molecular weight of 527.49 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163577832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).