1-(2-methoxyethyl)pyrazole-4-carbaldehyde

C7H10N2O2 — CID 23033398

IUPAC1-(2-methoxyethyl)pyrazole-4-carbaldehyde
SMILESCOCCn1cc(C=O)cn1
InChIInChI=1S/C7H10N2O2/c1-11-3-2-9-5-7(6-10)4-8-9/h4-6H,2-3H2,1H3
InChIKeyOZCYWOQGSFDUNP-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.34
Rot. Bonds4

About 1-(2-methoxyethyl)pyrazole-4-carbaldehyde

1-(2-methoxyethyl)pyrazole-4-carbaldehyde (PubChem CID 23033398) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 1-(2-methoxyethyl)pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1-(2-methoxyethyl)pyrazole-4-carbaldehyde
PubChem CID23033398
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name1-(2-methoxyethyl)pyrazole-4-carbaldehyde
SMILESCOCCn1cc(C=O)cn1
InChIInChI=1S/C7H10N2O2/c1-11-3-2-9-5-7(6-10)4-8-9/h4-6H,2-3H2,1H3
InChIKeyOZCYWOQGSFDUNP-UHFFFAOYSA-N
XLogP0.34
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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)pyrazole-4-carbaldehyde?
The IUPAC name of 1-(2-methoxyethyl)pyrazole-4-carbaldehyde (CID 23033398) is 1-(2-methoxyethyl)pyrazole-4-carbaldehyde.
What is the SMILES notation for 1-(2-methoxyethyl)pyrazole-4-carbaldehyde?
The canonical SMILES for 1-(2-methoxyethyl)pyrazole-4-carbaldehyde is COCCn1cc(C=O)cn1.
What is the InChIKey of 1-(2-methoxyethyl)pyrazole-4-carbaldehyde?
The InChIKey is OZCYWOQGSFDUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-11-3-2-9-5-7(6-10)4-8-9/h4-6H,2-3H2,1H3.
What are the key properties of 1-(2-methoxyethyl)pyrazole-4-carbaldehyde?
1-(2-methoxyethyl)pyrazole-4-carbaldehyde has a molecular weight of 154.17 g/mol, XLogP of 0.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)pyrazole-4-carbaldehyde is sourced from PubChem (CID 23033398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).