[4-(1-ethylpyrazol-4-yl)oxy-2-(trifluoromethyl)phenyl]methanol

C13H13F3N2O2 — CID 116801965

IUPAC[4-(1-ethylpyrazol-4-yl)oxy-2-(trifluoromethyl)phenyl]methanol
SMILESCCn1cc(Oc2ccc(CO)c(C(F)(F)F)c2)cn1
InChIInChI=1S/C13H13F3N2O2/c1-2-18-7-11(6-17-18)20-10-4-3-9(8-19)12(5-10)13(14,15)16/h3-7,19H,2,8H2,1H3
InChIKeyJPMFPEZKZIRPAC-UHFFFAOYSA-N
MW286.25 g/mol
LogP3.21
Rot. Bonds4

About [4-(1-ethylpyrazol-4-yl)oxy-2-(trifluoromethyl)phenyl]methanol

[4-(1-ethylpyrazol-4-yl)oxy-2-(trifluoromethyl)phenyl]methanol (PubChem CID 116801965) has the molecular formula C13H13F3N2O2 and a molecular weight of 286.25 g/mol. Its IUPAC name is [4-(1-ethylpyrazol-4-yl)oxy-2-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name[4-(1-ethylpyrazol-4-yl)oxy-2-(trifluoromethyl)phenyl]methanol
PubChem CID116801965
Molecular FormulaC13H13F3N2O2
Molecular Weight286.25 g/mol
Exact Mass286.09
IUPAC Name[4-(1-ethylpyrazol-4-yl)oxy-2-(trifluoromethyl)phenyl]methanol
SMILESCCn1cc(Oc2ccc(CO)c(C(F)(F)F)c2)cn1
InChIInChI=1S/C13H13F3N2O2/c1-2-18-7-11(6-17-18)20-10-4-3-9(8-19)12(5-10)13(14,15)16/h3-7,19H,2,8H2,1H3
InChIKeyJPMFPEZKZIRPAC-UHFFFAOYSA-N
XLogP3.21
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-ethylpyrazol-4-yl)oxy-2-(trifluoromethyl)benzonitrile
CID 116801192
3-(1-ethylpyrazol-4-yl)oxy-5-(trifluoromethyl)aniline
CID 116800265
4-(4-bromophenoxy)-1-ethylpyrazole
CID 117229573
4-(1-ethylpyrazol-4-yl)oxyaniline
CID 116800266
[1-(1-ethylpyrazol-4-yl)oxyisoquinolin-4-yl]methanol
CID 106768860
(1S)-1-[4-(1-ethylpyrazol-4-yl)oxyphenyl]propan-1-ol
CID 114066991
4-(1-ethylpyrazol-4-yl)oxypyridin-2-amine
CID 116805835
N-[[4-(1-ethylpyrazol-4-yl)oxy-2-methylphenyl]methyl]-2-methylpropan-1-amine
CID 116802120
[3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]methanol
CID 116801961
4-(1-ethylpyrazol-4-yl)oxypyridine-2-carbothioamide
CID 116801295
2-(1-ethylpyrazol-4-yl)oxy-6-(trifluoromethyl)pyridine-3-carbothioamide
CID 116801325
4-(1-methylpyrazol-4-yl)oxy-2-(trifluoromethyl)benzenecarboximidamide
CID 116792854

Frequently Asked Questions

What is the IUPAC name of [4-(1-ethylpyrazol-4-yl)oxy-2-(trifluoromethyl)phenyl]methanol?
The IUPAC name of [4-(1-ethylpyrazol-4-yl)oxy-2-(trifluoromethyl)phenyl]methanol (CID 116801965) is [4-(1-ethylpyrazol-4-yl)oxy-2-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for [4-(1-ethylpyrazol-4-yl)oxy-2-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for [4-(1-ethylpyrazol-4-yl)oxy-2-(trifluoromethyl)phenyl]methanol is CCn1cc(Oc2ccc(CO)c(C(F)(F)F)c2)cn1.
What is the InChIKey of [4-(1-ethylpyrazol-4-yl)oxy-2-(trifluoromethyl)phenyl]methanol?
The InChIKey is JPMFPEZKZIRPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O2/c1-2-18-7-11(6-17-18)20-10-4-3-9(8-19)12(5-10)13(14,15)16/h3-7,19H,2,8H2,1H3.
What are the key properties of [4-(1-ethylpyrazol-4-yl)oxy-2-(trifluoromethyl)phenyl]methanol?
[4-(1-ethylpyrazol-4-yl)oxy-2-(trifluoromethyl)phenyl]methanol has a molecular weight of 286.25 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-ethylpyrazol-4-yl)oxy-2-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 116801965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).