2-[4-(2-hydroxyphenoxy)pyrazol-1-yl]acetaldehyde

C11H10N2O3 — CID 117124893

IUPAC2-[4-(2-hydroxyphenoxy)pyrazol-1-yl]acetaldehyde
SMILESO=CCn1cc(Oc2ccccc2O)cn1
InChIInChI=1S/C11H10N2O3/c14-6-5-13-8-9(7-12-13)16-11-4-2-1-3-10(11)15/h1-4,6-8,15H,5H2
InChIKeyDNWFKJKSPAMIQB-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.58
Rot. Bonds4

About 2-[4-(2-hydroxyphenoxy)pyrazol-1-yl]acetaldehyde

2-[4-(2-hydroxyphenoxy)pyrazol-1-yl]acetaldehyde (PubChem CID 117124893) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 2-[4-(2-hydroxyphenoxy)pyrazol-1-yl]acetaldehyde.

Molecular Properties

Compound Name2-[4-(2-hydroxyphenoxy)pyrazol-1-yl]acetaldehyde
PubChem CID117124893
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name2-[4-(2-hydroxyphenoxy)pyrazol-1-yl]acetaldehyde
SMILESO=CCn1cc(Oc2ccccc2O)cn1
InChIInChI=1S/C11H10N2O3/c14-6-5-13-8-9(7-12-13)16-11-4-2-1-3-10(11)15/h1-4,6-8,15H,5H2
InChIKeyDNWFKJKSPAMIQB-UHFFFAOYSA-N
XLogP1.58
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(1-phenylpyrazol-4-yl)oxyphenol
CID 117229212
2-(4-ethoxypyrazol-1-yl)acetaldehyde
CID 117124915
2-(4-phenylpyrazol-1-yl)acetaldehyde
CID 62770102
2-[4-[2-(trifluoromethyl)phenoxy]pyrazol-1-yl]acetic acid
CID 117125430
2-[4-(2-methylphenoxy)pyrazol-1-yl]acetic acid
CID 115038747
1-[2-(1-ethylpyrazol-4-yl)oxyphenyl]propan-1-one
CID 116801587
2-[4-(2-fluorophenoxy)pyrazol-1-yl]ethanol
CID 117124831
1-[2-(1-propylpyrazol-4-yl)oxyphenyl]propan-1-one
CID 116801605
2-(1-cyclohexylpyrazol-4-yl)oxyphenol
CID 117229305
1-[2-(1-ethylpyrazol-4-yl)oxyphenyl]ethanol
CID 116801944
4-(2-hydroxyphenoxy)benzaldehyde
CID 13266147
2-[4-(2-bromophenoxy)pyrazol-1-yl]ethanamine
CID 115051835

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyphenoxy)pyrazol-1-yl]acetaldehyde?
The IUPAC name of 2-[4-(2-hydroxyphenoxy)pyrazol-1-yl]acetaldehyde (CID 117124893) is 2-[4-(2-hydroxyphenoxy)pyrazol-1-yl]acetaldehyde.
What is the SMILES notation for 2-[4-(2-hydroxyphenoxy)pyrazol-1-yl]acetaldehyde?
The canonical SMILES for 2-[4-(2-hydroxyphenoxy)pyrazol-1-yl]acetaldehyde is O=CCn1cc(Oc2ccccc2O)cn1.
What is the InChIKey of 2-[4-(2-hydroxyphenoxy)pyrazol-1-yl]acetaldehyde?
The InChIKey is DNWFKJKSPAMIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c14-6-5-13-8-9(7-12-13)16-11-4-2-1-3-10(11)15/h1-4,6-8,15H,5H2.
What are the key properties of 2-[4-(2-hydroxyphenoxy)pyrazol-1-yl]acetaldehyde?
2-[4-(2-hydroxyphenoxy)pyrazol-1-yl]acetaldehyde has a molecular weight of 218.21 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyphenoxy)pyrazol-1-yl]acetaldehyde is sourced from PubChem (CID 117124893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).