3-ethoxy-4-[(1-ethylpyrazol-4-yl)methoxy]benzonitrile

C15H17N3O2 — CID 62127952

IUPAC3-ethoxy-4-[(1-ethylpyrazol-4-yl)methoxy]benzonitrile
SMILESCCOc1cc(C#N)ccc1OCc1cnn(CC)c1
InChIInChI=1S/C15H17N3O2/c1-3-18-10-13(9-17-18)11-20-14-6-5-12(8-16)7-15(14)19-4-2/h5-7,9-10H,3-4,11H2,1-2H3
InChIKeyFDWHNVIOSUHWMF-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.75
Rot. Bonds6

About 3-ethoxy-4-[(1-ethylpyrazol-4-yl)methoxy]benzonitrile

3-ethoxy-4-[(1-ethylpyrazol-4-yl)methoxy]benzonitrile (PubChem CID 62127952) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-ethoxy-4-[(1-ethylpyrazol-4-yl)methoxy]benzonitrile.

Molecular Properties

Compound Name3-ethoxy-4-[(1-ethylpyrazol-4-yl)methoxy]benzonitrile
PubChem CID62127952
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name3-ethoxy-4-[(1-ethylpyrazol-4-yl)methoxy]benzonitrile
SMILESCCOc1cc(C#N)ccc1OCc1cnn(CC)c1
InChIInChI=1S/C15H17N3O2/c1-3-18-10-13(9-17-18)11-20-14-6-5-12(8-16)7-15(14)19-4-2/h5-7,9-10H,3-4,11H2,1-2H3
InChIKeyFDWHNVIOSUHWMF-UHFFFAOYSA-N
XLogP2.75
TPSA60.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethoxy-4-(1,2-oxazol-4-ylmethoxy)benzonitrile
CID 61230060
4-[(5-bromo-3-pyridinyl)methoxy]-3-ethoxybenzonitrile
CID 115580571
3-ethoxy-4-[(4-iodophenyl)methoxy]benzonitrile
CID 60650936
3-ethoxy-4-[[4-(hydroxymethyl)phenyl]methoxy]benzonitrile
CID 110005223
4-[(4-bromophenyl)methoxy]-3-ethoxybenzonitrile
CID 22681511
(1R)-1-[5-bromo-2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanol
CID 63365906
(1S)-1-[2-[(1-ethylpyrazol-4-yl)methoxy]-5-methylphenyl]ethanol
CID 63366486
4-[[4-(3-chloroprop-1-ynyl)-2-methylphenoxy]methyl]-1-ethylpyrazole
CID 63214890
3-[4-[(1-ethylpyrazol-4-yl)methoxy]-3-methylphenyl]prop-2-yn-1-ol
CID 63214836
3-ethoxy-4-(trimethylsilylmethoxy)benzonitrile
CID 56529428
4-[(5-bromo-2-pyridinyl)methoxy]-3-ethoxybenzonitrile
CID 104797266
3,4-diethoxy-N-[(1-ethylpyrazol-4-yl)methyl]aniline
CID 62126887

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-[(1-ethylpyrazol-4-yl)methoxy]benzonitrile?
The IUPAC name of 3-ethoxy-4-[(1-ethylpyrazol-4-yl)methoxy]benzonitrile (CID 62127952) is 3-ethoxy-4-[(1-ethylpyrazol-4-yl)methoxy]benzonitrile.
What is the SMILES notation for 3-ethoxy-4-[(1-ethylpyrazol-4-yl)methoxy]benzonitrile?
The canonical SMILES for 3-ethoxy-4-[(1-ethylpyrazol-4-yl)methoxy]benzonitrile is CCOc1cc(C#N)ccc1OCc1cnn(CC)c1.
What is the InChIKey of 3-ethoxy-4-[(1-ethylpyrazol-4-yl)methoxy]benzonitrile?
The InChIKey is FDWHNVIOSUHWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-3-18-10-13(9-17-18)11-20-14-6-5-12(8-16)7-15(14)19-4-2/h5-7,9-10H,3-4,11H2,1-2H3.
What are the key properties of 3-ethoxy-4-[(1-ethylpyrazol-4-yl)methoxy]benzonitrile?
3-ethoxy-4-[(1-ethylpyrazol-4-yl)methoxy]benzonitrile has a molecular weight of 271.32 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-[(1-ethylpyrazol-4-yl)methoxy]benzonitrile is sourced from PubChem (CID 62127952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).