2-[2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-3H-pyrazol-1-yl]ethanol

C13H16F3N3O2 — CID 174765316

IUPAC2-[2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-3H-pyrazol-1-yl]ethanol
SMILESOCCN1C=CCN1Cc1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C13H16F3N3O2/c14-13(15,16)10-21-12-3-2-11(8-17-12)9-19-5-1-4-18(19)6-7-20/h1-4,8,20H,5-7,9-10H2
InChIKeyAOBDPLWUDOFYTJ-UHFFFAOYSA-N
MW303.28 g/mol
LogP1.56
Rot. Bonds6

About 2-[2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-3H-pyrazol-1-yl]ethanol

2-[2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-3H-pyrazol-1-yl]ethanol (PubChem CID 174765316) has the molecular formula C13H16F3N3O2 and a molecular weight of 303.28 g/mol. Its IUPAC name is 2-[2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-3H-pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-3H-pyrazol-1-yl]ethanol
PubChem CID174765316
Molecular FormulaC13H16F3N3O2
Molecular Weight303.28 g/mol
Exact Mass303.12
IUPAC Name2-[2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-3H-pyrazol-1-yl]ethanol
SMILESOCCN1C=CCN1Cc1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C13H16F3N3O2/c14-13(15,16)10-21-12-3-2-11(8-17-12)9-19-5-1-4-18(19)6-7-20/h1-4,8,20H,5-7,9-10H2
InChIKeyAOBDPLWUDOFYTJ-UHFFFAOYSA-N
XLogP1.56
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-3H-pyrazol-1-yl]ethanol?
The IUPAC name of 2-[2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-3H-pyrazol-1-yl]ethanol (CID 174765316) is 2-[2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-3H-pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-3H-pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-3H-pyrazol-1-yl]ethanol is OCCN1C=CCN1Cc1ccc(OCC(F)(F)F)nc1.
What is the InChIKey of 2-[2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-3H-pyrazol-1-yl]ethanol?
The InChIKey is AOBDPLWUDOFYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O2/c14-13(15,16)10-21-12-3-2-11(8-17-12)9-19-5-1-4-18(19)6-7-20/h1-4,8,20H,5-7,9-10H2.
What are the key properties of 2-[2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-3H-pyrazol-1-yl]ethanol?
2-[2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-3H-pyrazol-1-yl]ethanol has a molecular weight of 303.28 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-3H-pyrazol-1-yl]ethanol is sourced from PubChem (CID 174765316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).