3-(1H-pyrazol-4-yloxy)benzaldehyde

C10H8N2O2 — CID 115017446

IUPAC3-(1H-pyrazol-4-yloxy)benzaldehyde
SMILESO=Cc1cccc(Oc2cn[nH]c2)c1
InChIInChI=1S/C10H8N2O2/c13-7-8-2-1-3-9(4-8)14-10-5-11-12-6-10/h1-7H,(H,11,12)
InChIKeyWCLLLGHTJVKKPA-UHFFFAOYSA-N
MW188.19 g/mol
LogP2.01
Rot. Bonds3

About 3-(1H-pyrazol-4-yloxy)benzaldehyde

3-(1H-pyrazol-4-yloxy)benzaldehyde (PubChem CID 115017446) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is 3-(1H-pyrazol-4-yloxy)benzaldehyde.

Molecular Properties

Compound Name3-(1H-pyrazol-4-yloxy)benzaldehyde
PubChem CID115017446
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name3-(1H-pyrazol-4-yloxy)benzaldehyde
SMILESO=Cc1cccc(Oc2cn[nH]c2)c1
InChIInChI=1S/C10H8N2O2/c13-7-8-2-1-3-9(4-8)14-10-5-11-12-6-10/h1-7H,(H,11,12)
InChIKeyWCLLLGHTJVKKPA-UHFFFAOYSA-N
XLogP2.01
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 52.01
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-ethoxyphenyl)methyl 1H-pyrazole-4-carboxylate
CID 155518135
3,5-difluoro-4-(1H-pyrazol-4-yloxy)benzaldehyde
CID 118686116
3-(1H-pyrazol-4-yloxy)-5-(trifluoromethoxy)benzaldehyde
CID 171067042
3-fluoro-5-(1H-pyrazol-4-yloxy)benzaldehyde
CID 171067208
2-(1H-pyrazol-4-yl)ethyl 2-fluoro-3-methoxybenzoate
CID 75435186
3-Fluoro-5-(1-methylpyrazol-4-yl)oxybenzaldehyde
CID 106529609
3-(1-Ethylpyrazol-4-yl)oxy-5-fluorobenzaldehyde
CID 106529610
3-Fluoro-5-(1-propylpyrazol-4-yl)oxybenzaldehyde
CID 113846035
4-[3-(trifluoromethyl)phenoxy]-1H-pyrazole
CID 117233513
4-methyl-1H-pyrazole;3-(trifluoromethoxy)benzamide
CID 161505558
N-Methyl-3-[(2-methylprop-2-EN-1-YL)oxy]-N-[2-(1H-pyrazol-4-YL)ethyl]benzamide
CID 46990694
1H-pyrazol-4-yl benzoate
CID 17807014

Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrazol-4-yloxy)benzaldehyde?
The IUPAC name of 3-(1H-pyrazol-4-yloxy)benzaldehyde (CID 115017446) is 3-(1H-pyrazol-4-yloxy)benzaldehyde.
What is the SMILES notation for 3-(1H-pyrazol-4-yloxy)benzaldehyde?
The canonical SMILES for 3-(1H-pyrazol-4-yloxy)benzaldehyde is O=Cc1cccc(Oc2cn[nH]c2)c1.
What is the InChIKey of 3-(1H-pyrazol-4-yloxy)benzaldehyde?
The InChIKey is WCLLLGHTJVKKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2/c13-7-8-2-1-3-9(4-8)14-10-5-11-12-6-10/h1-7H,(H,11,12).
What are the key properties of 3-(1H-pyrazol-4-yloxy)benzaldehyde?
3-(1H-pyrazol-4-yloxy)benzaldehyde has a molecular weight of 188.19 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrazol-4-yloxy)benzaldehyde is sourced from PubChem (CID 115017446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).