2-[1-(4-chlorophenyl)pyrazol-3-yl]oxyacetaldehyde

C11H9ClN2O2 — CID 121269425

IUPAC2-[1-(4-chlorophenyl)pyrazol-3-yl]oxyacetaldehyde
SMILESO=CCOc1ccn(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C11H9ClN2O2/c12-9-1-3-10(4-2-9)14-6-5-11(13-14)16-8-7-15/h1-7H,8H2
InChIKeyOBJMPEJAAZTMML-UHFFFAOYSA-N
MW236.66 g/mol
LogP2.10
Rot. Bonds4

About 2-[1-(4-chlorophenyl)pyrazol-3-yl]oxyacetaldehyde

2-[1-(4-chlorophenyl)pyrazol-3-yl]oxyacetaldehyde (PubChem CID 121269425) has the molecular formula C11H9ClN2O2 and a molecular weight of 236.66 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)pyrazol-3-yl]oxyacetaldehyde.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)pyrazol-3-yl]oxyacetaldehyde
PubChem CID121269425
Molecular FormulaC11H9ClN2O2
Molecular Weight236.66 g/mol
Exact Mass236.04
IUPAC Name2-[1-(4-chlorophenyl)pyrazol-3-yl]oxyacetaldehyde
SMILESO=CCOc1ccn(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C11H9ClN2O2/c12-9-1-3-10(4-2-9)14-6-5-11(13-14)16-8-7-15/h1-7H,8H2
InChIKeyOBJMPEJAAZTMML-UHFFFAOYSA-N
XLogP2.10
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 52.10
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-chlorophenyl)-3-(2,2-diethoxyethoxy)pyrazole;2-[1-(4-chlorophenyl)pyrazol-3-yl]oxyacetaldehyde
CID 158010775
[(Z)-4-[1-(4-chlorophenyl)pyrazol-3-yl]oxybut-2-en-2-yl] N-methoxycarbamate
CID 140658305
3-[(2-bromophenyl)methoxy]-1-(4-chlorophenyl)pyrazole
CID 67042683
methyl 2-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-3-(fluoromethoxy)prop-2-enoate
CID 72971600
N-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-phenylhydroxylamine
CID 172560765
1-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]-3-methylphenyl]-1-methylhydrazine
CID 155217844
methyl N-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-methoxycarbamate
CID 6422843
1-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]-3-ethenylphenyl]-1-methylhydrazine
CID 155217759
1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazole
CID 54050324
1-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-1-methoxy-3-methylurea
CID 142124179
1-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]-3-methylphenyl]-4-methyl-5-methylidenetetrazole
CID 142494394
1-(4-methylphenyl)-3-propoxypyrazole
CID 145188885

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)pyrazol-3-yl]oxyacetaldehyde?
The IUPAC name of 2-[1-(4-chlorophenyl)pyrazol-3-yl]oxyacetaldehyde (CID 121269425) is 2-[1-(4-chlorophenyl)pyrazol-3-yl]oxyacetaldehyde.
What is the SMILES notation for 2-[1-(4-chlorophenyl)pyrazol-3-yl]oxyacetaldehyde?
The canonical SMILES for 2-[1-(4-chlorophenyl)pyrazol-3-yl]oxyacetaldehyde is O=CCOc1ccn(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[1-(4-chlorophenyl)pyrazol-3-yl]oxyacetaldehyde?
The InChIKey is OBJMPEJAAZTMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2/c12-9-1-3-10(4-2-9)14-6-5-11(13-14)16-8-7-15/h1-7H,8H2.
What are the key properties of 2-[1-(4-chlorophenyl)pyrazol-3-yl]oxyacetaldehyde?
2-[1-(4-chlorophenyl)pyrazol-3-yl]oxyacetaldehyde has a molecular weight of 236.66 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)pyrazol-3-yl]oxyacetaldehyde is sourced from PubChem (CID 121269425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).