3,5-difluoro-4-(1H-pyrazol-4-yloxy)benzaldehyde

C10H6F2N2O2 — CID 118686116

IUPAC3,5-difluoro-4-(1H-pyrazol-4-yloxy)benzaldehyde
SMILESO=Cc1cc(F)c(Oc2cn[nH]c2)c(F)c1
InChIInChI=1S/C10H6F2N2O2/c11-8-1-6(5-15)2-9(12)10(8)16-7-3-13-14-4-7/h1-5H,(H,13,14)
InChIKeyJBOOJXRFPJJQLN-UHFFFAOYSA-N
MW224.17 g/mol
LogP2.29
Rot. Bonds3

About 3,5-difluoro-4-(1H-pyrazol-4-yloxy)benzaldehyde

3,5-difluoro-4-(1H-pyrazol-4-yloxy)benzaldehyde (PubChem CID 118686116) has the molecular formula C10H6F2N2O2 and a molecular weight of 224.17 g/mol. Its IUPAC name is 3,5-difluoro-4-(1H-pyrazol-4-yloxy)benzaldehyde.

Molecular Properties

Compound Name3,5-difluoro-4-(1H-pyrazol-4-yloxy)benzaldehyde
PubChem CID118686116
Molecular FormulaC10H6F2N2O2
Molecular Weight224.17 g/mol
Exact Mass224.04
IUPAC Name3,5-difluoro-4-(1H-pyrazol-4-yloxy)benzaldehyde
SMILESO=Cc1cc(F)c(Oc2cn[nH]c2)c(F)c1
InChIInChI=1S/C10H6F2N2O2/c11-8-1-6(5-15)2-9(12)10(8)16-7-3-13-14-4-7/h1-5H,(H,13,14)
InChIKeyJBOOJXRFPJJQLN-UHFFFAOYSA-N
XLogP2.29
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.17
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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
4-[[5-[bromo(difluoro)methyl]-1H-pyrazol-4-yl]oxy]-2,6-difluorobenzaldehyde
CID 137424081
3-(1H-pyrazol-4-yloxy)-5-(trifluoromethoxy)benzaldehyde
CID 171067042
3-fluoro-5-(1H-pyrazol-4-yloxy)benzaldehyde
CID 171067208
3-Fluoro-4-(1-propylpyrazol-4-yl)oxybenzaldehyde
CID 113565872

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-(1H-pyrazol-4-yloxy)benzaldehyde?
The IUPAC name of 3,5-difluoro-4-(1H-pyrazol-4-yloxy)benzaldehyde (CID 118686116) is 3,5-difluoro-4-(1H-pyrazol-4-yloxy)benzaldehyde.
What is the SMILES notation for 3,5-difluoro-4-(1H-pyrazol-4-yloxy)benzaldehyde?
The canonical SMILES for 3,5-difluoro-4-(1H-pyrazol-4-yloxy)benzaldehyde is O=Cc1cc(F)c(Oc2cn[nH]c2)c(F)c1.
What is the InChIKey of 3,5-difluoro-4-(1H-pyrazol-4-yloxy)benzaldehyde?
The InChIKey is JBOOJXRFPJJQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F2N2O2/c11-8-1-6(5-15)2-9(12)10(8)16-7-3-13-14-4-7/h1-5H,(H,13,14).
What are the key properties of 3,5-difluoro-4-(1H-pyrazol-4-yloxy)benzaldehyde?
3,5-difluoro-4-(1H-pyrazol-4-yloxy)benzaldehyde has a molecular weight of 224.17 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-(1H-pyrazol-4-yloxy)benzaldehyde is sourced from PubChem (CID 118686116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).