2-(2-hydroxyethyl)pyrazole-3-carbaldehyde

C6H8N2O2 — CID 119030698

IUPAC2-(2-hydroxyethyl)pyrazole-3-carbaldehyde
SMILESO=Cc1ccnn1CCO
InChIInChI=1S/C6H8N2O2/c9-4-3-8-6(5-10)1-2-7-8/h1-2,5,9H,3-4H2
InChIKeyWXUVRUUMELGBBL-UHFFFAOYSA-N
MW140.14 g/mol
LogP-0.31
Rot. Bonds3

About 2-(2-hydroxyethyl)pyrazole-3-carbaldehyde

2-(2-hydroxyethyl)pyrazole-3-carbaldehyde (PubChem CID 119030698) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)pyrazole-3-carbaldehyde.

Molecular Properties

Compound Name2-(2-hydroxyethyl)pyrazole-3-carbaldehyde
PubChem CID119030698
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name2-(2-hydroxyethyl)pyrazole-3-carbaldehyde
SMILESO=Cc1ccnn1CCO
InChIInChI=1S/C6H8N2O2/c9-4-3-8-6(5-10)1-2-7-8/h1-2,5,9H,3-4H2
InChIKeyWXUVRUUMELGBBL-UHFFFAOYSA-N
XLogP-0.31
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
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-hydroxyethyl)pyrazole-3-carbaldehyde?
The IUPAC name of 2-(2-hydroxyethyl)pyrazole-3-carbaldehyde (CID 119030698) is 2-(2-hydroxyethyl)pyrazole-3-carbaldehyde.
What is the SMILES notation for 2-(2-hydroxyethyl)pyrazole-3-carbaldehyde?
The canonical SMILES for 2-(2-hydroxyethyl)pyrazole-3-carbaldehyde is O=Cc1ccnn1CCO.
What is the InChIKey of 2-(2-hydroxyethyl)pyrazole-3-carbaldehyde?
The InChIKey is WXUVRUUMELGBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c9-4-3-8-6(5-10)1-2-7-8/h1-2,5,9H,3-4H2.
What are the key properties of 2-(2-hydroxyethyl)pyrazole-3-carbaldehyde?
2-(2-hydroxyethyl)pyrazole-3-carbaldehyde has a molecular weight of 140.14 g/mol, XLogP of -0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)pyrazole-3-carbaldehyde is sourced from PubChem (CID 119030698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).