4-(1-ethylpyrazol-4-yl)oxy-2-(trifluoromethyl)benzonitrile

C13H10F3N3O — CID 116801192

IUPAC4-(1-ethylpyrazol-4-yl)oxy-2-(trifluoromethyl)benzonitrile
SMILESCCn1cc(Oc2ccc(C#N)c(C(F)(F)F)c2)cn1
InChIInChI=1S/C13H10F3N3O/c1-2-19-8-11(7-18-19)20-10-4-3-9(6-17)12(5-10)13(14,15)16/h3-5,7-8H,2H2,1H3
InChIKeyVAXLIUREYSNBDW-UHFFFAOYSA-N
MW281.24 g/mol
LogP3.59
Rot. Bonds3

About 4-(1-ethylpyrazol-4-yl)oxy-2-(trifluoromethyl)benzonitrile

4-(1-ethylpyrazol-4-yl)oxy-2-(trifluoromethyl)benzonitrile (PubChem CID 116801192) has the molecular formula C13H10F3N3O and a molecular weight of 281.24 g/mol. Its IUPAC name is 4-(1-ethylpyrazol-4-yl)oxy-2-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name4-(1-ethylpyrazol-4-yl)oxy-2-(trifluoromethyl)benzonitrile
PubChem CID116801192
Molecular FormulaC13H10F3N3O
Molecular Weight281.24 g/mol
Exact Mass281.08
IUPAC Name4-(1-ethylpyrazol-4-yl)oxy-2-(trifluoromethyl)benzonitrile
SMILESCCn1cc(Oc2ccc(C#N)c(C(F)(F)F)c2)cn1
InChIInChI=1S/C13H10F3N3O/c1-2-19-8-11(7-18-19)20-10-4-3-9(6-17)12(5-10)13(14,15)16/h3-5,7-8H,2H2,1H3
InChIKeyVAXLIUREYSNBDW-UHFFFAOYSA-N
XLogP3.59
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.24
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(1-ethylpyrazol-4-yl)oxy-2-(trifluoromethyl)phenyl]methanol
CID 116801965
5-(1-propan-2-ylpyrazol-4-yl)oxy-2-(trifluoromethyl)benzonitrile
CID 116801286
4-(4-methylphenoxy)-2-(trifluoromethyl)benzonitrile
CID 43138559
4-(3,4-dimethylphenoxy)-2-(trifluoromethyl)benzonitrile
CID 43320722
3-(1-ethylpyrazol-4-yl)oxypyridine-4-carbonitrile
CID 116801198
3-(1-ethylpyrazol-4-yl)oxy-5-(trifluoromethyl)aniline
CID 116800265
4-(4-bromophenoxy)-1-ethylpyrazole
CID 117229573
4-[3-[4-cyano-3-(trifluoromethyl)phenoxy]propoxy]-2-(trifluoromethyl)benzonitrile
CID 11546106
4-(1-ethylpyrazol-4-yl)oxyaniline
CID 116800266
4-[2-(dimethylamino)ethoxy]-2-(trifluoromethyl)benzonitrile
CID 61102092
5-fluoro-2-(1-propylpyrazol-4-yl)oxybenzonitrile
CID 116801252
5-[(1-ethylpyrazol-4-yl)oxymethyl]-2-fluorobenzonitrile
CID 114013035

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylpyrazol-4-yl)oxy-2-(trifluoromethyl)benzonitrile?
The IUPAC name of 4-(1-ethylpyrazol-4-yl)oxy-2-(trifluoromethyl)benzonitrile (CID 116801192) is 4-(1-ethylpyrazol-4-yl)oxy-2-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 4-(1-ethylpyrazol-4-yl)oxy-2-(trifluoromethyl)benzonitrile?
The canonical SMILES for 4-(1-ethylpyrazol-4-yl)oxy-2-(trifluoromethyl)benzonitrile is CCn1cc(Oc2ccc(C#N)c(C(F)(F)F)c2)cn1.
What is the InChIKey of 4-(1-ethylpyrazol-4-yl)oxy-2-(trifluoromethyl)benzonitrile?
The InChIKey is VAXLIUREYSNBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3O/c1-2-19-8-11(7-18-19)20-10-4-3-9(6-17)12(5-10)13(14,15)16/h3-5,7-8H,2H2,1H3.
What are the key properties of 4-(1-ethylpyrazol-4-yl)oxy-2-(trifluoromethyl)benzonitrile?
4-(1-ethylpyrazol-4-yl)oxy-2-(trifluoromethyl)benzonitrile has a molecular weight of 281.24 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 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)benzonitrile is sourced from PubChem (CID 116801192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).