4-(1-ethylpyrazol-4-yl)oxy-3,5-difluorobenzaldehyde

C12H10F2N2O2 — CID 116801825

IUPAC4-(1-ethylpyrazol-4-yl)oxy-3,5-difluorobenzaldehyde
SMILESCCn1cc(Oc2c(F)cc(C=O)cc2F)cn1
InChIInChI=1S/C12H10F2N2O2/c1-2-16-6-9(5-15-16)18-12-10(13)3-8(7-17)4-11(12)14/h3-7H,2H2,1H3
InChIKeyQCTIEUNUXVOCBM-UHFFFAOYSA-N
MW252.22 g/mol
LogP2.79
Rot. Bonds4

About 4-(1-ethylpyrazol-4-yl)oxy-3,5-difluorobenzaldehyde

4-(1-ethylpyrazol-4-yl)oxy-3,5-difluorobenzaldehyde (PubChem CID 116801825) has the molecular formula C12H10F2N2O2 and a molecular weight of 252.22 g/mol. Its IUPAC name is 4-(1-ethylpyrazol-4-yl)oxy-3,5-difluorobenzaldehyde.

Molecular Properties

Compound Name4-(1-ethylpyrazol-4-yl)oxy-3,5-difluorobenzaldehyde
PubChem CID116801825
Molecular FormulaC12H10F2N2O2
Molecular Weight252.22 g/mol
Exact Mass252.07
IUPAC Name4-(1-ethylpyrazol-4-yl)oxy-3,5-difluorobenzaldehyde
SMILESCCn1cc(Oc2c(F)cc(C=O)cc2F)cn1
InChIInChI=1S/C12H10F2N2O2/c1-2-16-6-9(5-15-16)18-12-10(13)3-8(7-17)4-11(12)14/h3-7H,2H2,1H3
InChIKeyQCTIEUNUXVOCBM-UHFFFAOYSA-N
XLogP2.79
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.22
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-(2-hydroxy-3-(1H-pyrazol-1-yl)propoxy)phenyl)propan-1-one
CID 6499771
[4-(1-Ethylpyrazol-4-yl)oxy-3,5-difluorophenyl]methanol
CID 113565889
3-Fluoro-4-(1-methylpyrazol-4-yl)oxybenzaldehyde
CID 116792952
3,5-Difluoro-4-(1-methylpyrazol-4-yl)oxybenzaldehyde
CID 116792953
3,5-Difluoro-4-(1-propylpyrazol-4-yl)oxybenzaldehyde
CID 116801850
3,5-Difluoro-4-(1-propan-2-ylpyrazol-4-yl)oxybenzaldehyde
CID 116801875
[3,5-Difluoro-4-(1-propylpyrazol-4-yl)oxyphenyl]methanol
CID 116801968
2-(1H-pyrazol-1-yl)-1-(4-(trifluoromethoxy)phenyl)ethanone
CID 117949090
2-(4-Fluoropyrazol-1-yl)-1-[4-(trifluoromethoxy)phenyl]propan-1-one
CID 118080421
4-[1-(1-Ethoxyethyl)pyrazol-4-yl]oxy-3,5-difluorobenzaldehyde
CID 118685924
3,5-Difluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]oxybenzaldehyde
CID 118685926
3,5-difluoro-4-(1H-pyrazol-4-yloxy)benzaldehyde
CID 118686116

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylpyrazol-4-yl)oxy-3,5-difluorobenzaldehyde?
The IUPAC name of 4-(1-ethylpyrazol-4-yl)oxy-3,5-difluorobenzaldehyde (CID 116801825) is 4-(1-ethylpyrazol-4-yl)oxy-3,5-difluorobenzaldehyde.
What is the SMILES notation for 4-(1-ethylpyrazol-4-yl)oxy-3,5-difluorobenzaldehyde?
The canonical SMILES for 4-(1-ethylpyrazol-4-yl)oxy-3,5-difluorobenzaldehyde is CCn1cc(Oc2c(F)cc(C=O)cc2F)cn1.
What is the InChIKey of 4-(1-ethylpyrazol-4-yl)oxy-3,5-difluorobenzaldehyde?
The InChIKey is QCTIEUNUXVOCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O2/c1-2-16-6-9(5-15-16)18-12-10(13)3-8(7-17)4-11(12)14/h3-7H,2H2,1H3.
What are the key properties of 4-(1-ethylpyrazol-4-yl)oxy-3,5-difluorobenzaldehyde?
4-(1-ethylpyrazol-4-yl)oxy-3,5-difluorobenzaldehyde has a molecular weight of 252.22 g/mol, XLogP of 2.79, 4 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-3,5-difluorobenzaldehyde is sourced from PubChem (CID 116801825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).