4-[1-(1-ethoxyethyl)pyrazol-4-yl]oxy-3,5-difluorobenzaldehyde

C14H14F2N2O3 — CID 118685924

IUPAC4-[1-(1-ethoxyethyl)pyrazol-4-yl]oxy-3,5-difluorobenzaldehyde
SMILESCCOC(C)n1cc(Oc2c(F)cc(C=O)cc2F)cn1
InChIInChI=1S/C14H14F2N2O3/c1-3-20-9(2)18-7-11(6-17-18)21-14-12(15)4-10(8-19)5-13(14)16/h4-9H,3H2,1-2H3
InChIKeyRVWQJVGFZKSRJJ-UHFFFAOYSA-N
MW296.27 g/mol
LogP3.32
Rot. Bonds6

About 4-[1-(1-ethoxyethyl)pyrazol-4-yl]oxy-3,5-difluorobenzaldehyde

4-[1-(1-ethoxyethyl)pyrazol-4-yl]oxy-3,5-difluorobenzaldehyde (PubChem CID 118685924) has the molecular formula C14H14F2N2O3 and a molecular weight of 296.27 g/mol. Its IUPAC name is 4-[1-(1-ethoxyethyl)pyrazol-4-yl]oxy-3,5-difluorobenzaldehyde.

Molecular Properties

Compound Name4-[1-(1-ethoxyethyl)pyrazol-4-yl]oxy-3,5-difluorobenzaldehyde
PubChem CID118685924
Molecular FormulaC14H14F2N2O3
Molecular Weight296.27 g/mol
Exact Mass296.10
IUPAC Name4-[1-(1-ethoxyethyl)pyrazol-4-yl]oxy-3,5-difluorobenzaldehyde
SMILESCCOC(C)n1cc(Oc2c(F)cc(C=O)cc2F)cn1
InChIInChI=1S/C14H14F2N2O3/c1-3-20-9(2)18-7-11(6-17-18)21-14-12(15)4-10(8-19)5-13(14)16/h4-9H,3H2,1-2H3
InChIKeyRVWQJVGFZKSRJJ-UHFFFAOYSA-N
XLogP3.32
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.27
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 4-[1-(1-ethoxyethyl)pyrazol-4-yl]oxy-3,5-difluorobenzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-(2-hydroxy-3-(1H-pyrazol-1-yl)propoxy)phenyl)propan-1-one
CID 6499771
3-Fluoro-4-(1-methylpyrazol-4-yl)oxybenzaldehyde
CID 116792952
3,5-Difluoro-4-(1-methylpyrazol-4-yl)oxybenzaldehyde
CID 116792953
4-(1-Ethylpyrazol-4-yl)oxy-3,5-difluorobenzaldehyde
CID 116801825
3,5-Difluoro-4-(1-propylpyrazol-4-yl)oxybenzaldehyde
CID 116801850
3,5-Difluoro-4-(1-propan-2-ylpyrazol-4-yl)oxybenzaldehyde
CID 116801875
2-(4-Fluoropyrazol-1-yl)-1-[4-(trifluoromethoxy)phenyl]propan-1-one
CID 118080421
3,5-Difluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]oxybenzaldehyde
CID 118685926
3,5-difluoro-4-(1H-pyrazol-4-yloxy)benzaldehyde
CID 118686116
4-[1-[Bromo(difluoro)methyl]pyrazol-4-yl]oxy-3,5-difluorobenzaldehyde
CID 118686186
2,6-Difluoro-4-(pyrazol-1-ylmethoxy)benzaldehyde
CID 124121710
1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl benzoate
CID 137967545

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1-ethoxyethyl)pyrazol-4-yl]oxy-3,5-difluorobenzaldehyde?
The IUPAC name of 4-[1-(1-ethoxyethyl)pyrazol-4-yl]oxy-3,5-difluorobenzaldehyde (CID 118685924) is 4-[1-(1-ethoxyethyl)pyrazol-4-yl]oxy-3,5-difluorobenzaldehyde.
What is the SMILES notation for 4-[1-(1-ethoxyethyl)pyrazol-4-yl]oxy-3,5-difluorobenzaldehyde?
The canonical SMILES for 4-[1-(1-ethoxyethyl)pyrazol-4-yl]oxy-3,5-difluorobenzaldehyde is CCOC(C)n1cc(Oc2c(F)cc(C=O)cc2F)cn1.
What is the InChIKey of 4-[1-(1-ethoxyethyl)pyrazol-4-yl]oxy-3,5-difluorobenzaldehyde?
The InChIKey is RVWQJVGFZKSRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O3/c1-3-20-9(2)18-7-11(6-17-18)21-14-12(15)4-10(8-19)5-13(14)16/h4-9H,3H2,1-2H3.
What are the key properties of 4-[1-(1-ethoxyethyl)pyrazol-4-yl]oxy-3,5-difluorobenzaldehyde?
4-[1-(1-ethoxyethyl)pyrazol-4-yl]oxy-3,5-difluorobenzaldehyde has a molecular weight of 296.27 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1-ethoxyethyl)pyrazol-4-yl]oxy-3,5-difluorobenzaldehyde is sourced from PubChem (CID 118685924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).