1-(2-methoxyethyl)-3-thiophen-3-ylpyrazole-5-carbaldehyde

C11H12N2O2S — CID 121211266

IUPAC1-(2-methoxyethyl)-3-thiophen-3-ylpyrazole-5-carbaldehyde
SMILESCOCCn1nc(-c2ccsc2)cc1C=O
InChIInChI=1S/C11H12N2O2S/c1-15-4-3-13-10(7-14)6-11(12-13)9-2-5-16-8-9/h2,5-8H,3-4H2,1H3
InChIKeyKWZFTVVSXHZOTK-UHFFFAOYSA-N
MW236.30 g/mol
LogP2.07
Rot. Bonds5

About 1-(2-methoxyethyl)-3-thiophen-3-ylpyrazole-5-carbaldehyde

1-(2-methoxyethyl)-3-thiophen-3-ylpyrazole-5-carbaldehyde (PubChem CID 121211266) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-thiophen-3-ylpyrazole-5-carbaldehyde.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-thiophen-3-ylpyrazole-5-carbaldehyde
PubChem CID121211266
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name1-(2-methoxyethyl)-3-thiophen-3-ylpyrazole-5-carbaldehyde
SMILESCOCCn1nc(-c2ccsc2)cc1C=O
InChIInChI=1S/C11H12N2O2S/c1-15-4-3-13-10(7-14)6-11(12-13)9-2-5-16-8-9/h2,5-8H,3-4H2,1H3
InChIKeyKWZFTVVSXHZOTK-UHFFFAOYSA-N
XLogP2.07
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-thiophen-3-ylpyrazole-5-carbaldehyde?
The IUPAC name of 1-(2-methoxyethyl)-3-thiophen-3-ylpyrazole-5-carbaldehyde (CID 121211266) is 1-(2-methoxyethyl)-3-thiophen-3-ylpyrazole-5-carbaldehyde.
What is the SMILES notation for 1-(2-methoxyethyl)-3-thiophen-3-ylpyrazole-5-carbaldehyde?
The canonical SMILES for 1-(2-methoxyethyl)-3-thiophen-3-ylpyrazole-5-carbaldehyde is COCCn1nc(-c2ccsc2)cc1C=O.
What is the InChIKey of 1-(2-methoxyethyl)-3-thiophen-3-ylpyrazole-5-carbaldehyde?
The InChIKey is KWZFTVVSXHZOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-15-4-3-13-10(7-14)6-11(12-13)9-2-5-16-8-9/h2,5-8H,3-4H2,1H3.
What are the key properties of 1-(2-methoxyethyl)-3-thiophen-3-ylpyrazole-5-carbaldehyde?
1-(2-methoxyethyl)-3-thiophen-3-ylpyrazole-5-carbaldehyde has a molecular weight of 236.30 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-thiophen-3-ylpyrazole-5-carbaldehyde is sourced from PubChem (CID 121211266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).