2-ethenyl-3-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methoxy]phenol

C20H18F3N3O2 — CID 118039310

IUPAC2-ethenyl-3-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methoxy]phenol
SMILESC=Cc1c(O)cccc1OCc1cccnc1-c1ccnn1CCC(F)(F)F
InChIInChI=1S/C20H18F3N3O2/c1-2-15-17(27)6-3-7-18(15)28-13-14-5-4-10-24-19(14)16-8-11-25-26(16)12-9-20(21,22)23/h2-8,10-11,27H,1,9,12-13H2
InChIKeyXGCKOFXZSYKTRJ-UHFFFAOYSA-N
MW389.38 g/mol
LogP4.83
Rot. Bonds7

About 2-ethenyl-3-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methoxy]phenol

2-ethenyl-3-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methoxy]phenol (PubChem CID 118039310) has the molecular formula C20H18F3N3O2 and a molecular weight of 389.38 g/mol. Its IUPAC name is 2-ethenyl-3-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methoxy]phenol.

Molecular Properties

Compound Name2-ethenyl-3-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methoxy]phenol
PubChem CID118039310
Molecular FormulaC20H18F3N3O2
Molecular Weight389.38 g/mol
Exact Mass389.14
IUPAC Name2-ethenyl-3-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methoxy]phenol
SMILESC=Cc1c(O)cccc1OCc1cccnc1-c1ccnn1CCC(F)(F)F
InChIInChI=1S/C20H18F3N3O2/c1-2-15-17(27)6-3-7-18(15)28-13-14-5-4-10-24-19(14)16-8-11-25-26(16)12-9-20(21,22)23/h2-8,10-11,27H,1,9,12-13H2
InChIKeyXGCKOFXZSYKTRJ-UHFFFAOYSA-N
XLogP4.83
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 16190313
2-Methyl-3-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]phenol
CID 137348373
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CID 45221966
2-[[2-[4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-1-propan-2-ylpyrazol-5-yl]-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde
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2-hydroxy-6-[[2-[4-[(E)-2-(4-methylphenyl)ethenyl]-1-propan-2-ylpyrazol-5-yl]-3-pyridinyl]methoxy]benzaldehyde
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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-3-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methoxy]phenol?
The IUPAC name of 2-ethenyl-3-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methoxy]phenol (CID 118039310) is 2-ethenyl-3-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methoxy]phenol.
What is the SMILES notation for 2-ethenyl-3-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methoxy]phenol?
The canonical SMILES for 2-ethenyl-3-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methoxy]phenol is C=Cc1c(O)cccc1OCc1cccnc1-c1ccnn1CCC(F)(F)F.
What is the InChIKey of 2-ethenyl-3-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methoxy]phenol?
The InChIKey is XGCKOFXZSYKTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O2/c1-2-15-17(27)6-3-7-18(15)28-13-14-5-4-10-24-19(14)16-8-11-25-26(16)12-9-20(21,22)23/h2-8,10-11,27H,1,9,12-13H2.
What are the key properties of 2-ethenyl-3-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methoxy]phenol?
2-ethenyl-3-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methoxy]phenol has a molecular weight of 389.38 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-3-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methoxy]phenol is sourced from PubChem (CID 118039310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).