2-(2-methoxyethyl)-5-methylpyrazole-3-carbaldehyde

C8H12N2O2 — CID 91803752

IUPAC2-(2-methoxyethyl)-5-methylpyrazole-3-carbaldehyde
SMILESCOCCn1nc(C)cc1C=O
InChIInChI=1S/C8H12N2O2/c1-7-5-8(6-11)10(9-7)3-4-12-2/h5-6H,3-4H2,1-2H3
InChIKeyWTYLIIAUGQDWEN-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.65
Rot. Bonds4

About 2-(2-methoxyethyl)-5-methylpyrazole-3-carbaldehyde

2-(2-methoxyethyl)-5-methylpyrazole-3-carbaldehyde (PubChem CID 91803752) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-5-methylpyrazole-3-carbaldehyde.

Molecular Properties

Compound Name2-(2-methoxyethyl)-5-methylpyrazole-3-carbaldehyde
PubChem CID91803752
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name2-(2-methoxyethyl)-5-methylpyrazole-3-carbaldehyde
SMILESCOCCn1nc(C)cc1C=O
InChIInChI=1S/C8H12N2O2/c1-7-5-8(6-11)10(9-7)3-4-12-2/h5-6H,3-4H2,1-2H3
InChIKeyWTYLIIAUGQDWEN-UHFFFAOYSA-N
XLogP0.65
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.65
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 2-(2-methoxyethyl)-5-methylpyrazole-3-carbaldehyde?
The IUPAC name of 2-(2-methoxyethyl)-5-methylpyrazole-3-carbaldehyde (CID 91803752) is 2-(2-methoxyethyl)-5-methylpyrazole-3-carbaldehyde.
What is the SMILES notation for 2-(2-methoxyethyl)-5-methylpyrazole-3-carbaldehyde?
The canonical SMILES for 2-(2-methoxyethyl)-5-methylpyrazole-3-carbaldehyde is COCCn1nc(C)cc1C=O.
What is the InChIKey of 2-(2-methoxyethyl)-5-methylpyrazole-3-carbaldehyde?
The InChIKey is WTYLIIAUGQDWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-7-5-8(6-11)10(9-7)3-4-12-2/h5-6H,3-4H2,1-2H3.
What are the key properties of 2-(2-methoxyethyl)-5-methylpyrazole-3-carbaldehyde?
2-(2-methoxyethyl)-5-methylpyrazole-3-carbaldehyde has a molecular weight of 168.20 g/mol, XLogP of 0.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-5-methylpyrazole-3-carbaldehyde is sourced from PubChem (CID 91803752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).