2-[4-[1-(4-methoxyphenyl)-4-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenoxy]ethanol

C20H19F3N2O3 — CID 21090736

IUPAC2-[4-[1-(4-methoxyphenyl)-4-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenoxy]ethanol
SMILESCOc1ccc(-n2nc(C(F)(F)F)c(C)c2-c2ccc(OCCO)cc2)cc1
InChIInChI=1S/C20H19F3N2O3/c1-13-18(14-3-7-17(8-4-14)28-12-11-26)25(24-19(13)20(21,22)23)15-5-9-16(27-2)10-6-15/h3-10,26H,11-12H2,1-2H3
InChIKeyDXOUJYOUMWGIBA-UHFFFAOYSA-N
MW392.38 g/mol
LogP4.25
Rot. Bonds6

About 2-[4-[1-(4-methoxyphenyl)-4-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenoxy]ethanol

2-[4-[1-(4-methoxyphenyl)-4-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenoxy]ethanol (PubChem CID 21090736) has the molecular formula C20H19F3N2O3 and a molecular weight of 392.38 g/mol. Its IUPAC name is 2-[4-[1-(4-methoxyphenyl)-4-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[4-[1-(4-methoxyphenyl)-4-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenoxy]ethanol
PubChem CID21090736
Molecular FormulaC20H19F3N2O3
Molecular Weight392.38 g/mol
Exact Mass392.13
IUPAC Name2-[4-[1-(4-methoxyphenyl)-4-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenoxy]ethanol
SMILESCOc1ccc(-n2nc(C(F)(F)F)c(C)c2-c2ccc(OCCO)cc2)cc1
InChIInChI=1S/C20H19F3N2O3/c1-13-18(14-3-7-17(8-4-14)28-12-11-26)25(24-19(13)20(21,22)23)15-5-9-16(27-2)10-6-15/h3-10,26H,11-12H2,1-2H3
InChIKeyDXOUJYOUMWGIBA-UHFFFAOYSA-N
XLogP4.25
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(4-methoxyphenyl)-4-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenoxy]ethanol?
The IUPAC name of 2-[4-[1-(4-methoxyphenyl)-4-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenoxy]ethanol (CID 21090736) is 2-[4-[1-(4-methoxyphenyl)-4-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenoxy]ethanol.
What is the SMILES notation for 2-[4-[1-(4-methoxyphenyl)-4-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenoxy]ethanol?
The canonical SMILES for 2-[4-[1-(4-methoxyphenyl)-4-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenoxy]ethanol is COc1ccc(-n2nc(C(F)(F)F)c(C)c2-c2ccc(OCCO)cc2)cc1.
What is the InChIKey of 2-[4-[1-(4-methoxyphenyl)-4-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenoxy]ethanol?
The InChIKey is DXOUJYOUMWGIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O3/c1-13-18(14-3-7-17(8-4-14)28-12-11-26)25(24-19(13)20(21,22)23)15-5-9-16(27-2)10-6-15/h3-10,26H,11-12H2,1-2H3.
What are the key properties of 2-[4-[1-(4-methoxyphenyl)-4-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenoxy]ethanol?
2-[4-[1-(4-methoxyphenyl)-4-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenoxy]ethanol has a molecular weight of 392.38 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(4-methoxyphenyl)-4-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenoxy]ethanol is sourced from PubChem (CID 21090736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).