3-(1-ethylpyrazol-4-yl)oxy-5-fluorobenzaldehyde

C12H11FN2O2 — CID 106529610

IUPAC3-(1-ethylpyrazol-4-yl)oxy-5-fluorobenzaldehyde
SMILESCCn1cc(Oc2cc(F)cc(C=O)c2)cn1
InChIInChI=1S/C12H11FN2O2/c1-2-15-7-12(6-14-15)17-11-4-9(8-16)3-10(13)5-11/h3-8H,2H2,1H3
InChIKeyUSGQYRVYECCSQA-UHFFFAOYSA-N
MW234.23 g/mol
LogP2.65
Rot. Bonds4

About 3-(1-ethylpyrazol-4-yl)oxy-5-fluorobenzaldehyde

3-(1-ethylpyrazol-4-yl)oxy-5-fluorobenzaldehyde (PubChem CID 106529610) has the molecular formula C12H11FN2O2 and a molecular weight of 234.23 g/mol. Its IUPAC name is 3-(1-ethylpyrazol-4-yl)oxy-5-fluorobenzaldehyde.

Molecular Properties

Compound Name3-(1-ethylpyrazol-4-yl)oxy-5-fluorobenzaldehyde
PubChem CID106529610
Molecular FormulaC12H11FN2O2
Molecular Weight234.23 g/mol
Exact Mass234.08
IUPAC Name3-(1-ethylpyrazol-4-yl)oxy-5-fluorobenzaldehyde
SMILESCCn1cc(Oc2cc(F)cc(C=O)c2)cn1
InChIInChI=1S/C12H11FN2O2/c1-2-15-7-12(6-14-15)17-11-4-9(8-16)3-10(13)5-11/h3-8H,2H2,1H3
InChIKeyUSGQYRVYECCSQA-UHFFFAOYSA-N
XLogP2.65
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 52.65
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

2,6-Difluoro-3-(2-pyrazol-1-ylethoxy)benzamide
CID 46236894
4-(3-acetylphenoxy)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide
CID 53563266
2,6-difluoro-3-methoxy-N-(2-methoxyethyl)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 46992436
[1-(Difluoromethyl)pyrazol-4-yl] 3,5-diethoxybenzoate
CID 69094560
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
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
4-[1-[Bromo(difluoro)methyl]pyrazol-4-yl]oxy-3,5-difluorobenzaldehyde
CID 118686186

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylpyrazol-4-yl)oxy-5-fluorobenzaldehyde?
The IUPAC name of 3-(1-ethylpyrazol-4-yl)oxy-5-fluorobenzaldehyde (CID 106529610) is 3-(1-ethylpyrazol-4-yl)oxy-5-fluorobenzaldehyde.
What is the SMILES notation for 3-(1-ethylpyrazol-4-yl)oxy-5-fluorobenzaldehyde?
The canonical SMILES for 3-(1-ethylpyrazol-4-yl)oxy-5-fluorobenzaldehyde is CCn1cc(Oc2cc(F)cc(C=O)c2)cn1.
What is the InChIKey of 3-(1-ethylpyrazol-4-yl)oxy-5-fluorobenzaldehyde?
The InChIKey is USGQYRVYECCSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2/c1-2-15-7-12(6-14-15)17-11-4-9(8-16)3-10(13)5-11/h3-8H,2H2,1H3.
What are the key properties of 3-(1-ethylpyrazol-4-yl)oxy-5-fluorobenzaldehyde?
3-(1-ethylpyrazol-4-yl)oxy-5-fluorobenzaldehyde has a molecular weight of 234.23 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylpyrazol-4-yl)oxy-5-fluorobenzaldehyde is sourced from PubChem (CID 106529610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).