5-[1-(2-hydroxyethyl)pyrazol-4-yl]thiophene-3-carbaldehyde

C10H10N2O2S — CID 142706253

IUPAC5-[1-(2-hydroxyethyl)pyrazol-4-yl]thiophene-3-carbaldehyde
SMILESO=Cc1csc(-c2cnn(CCO)c2)c1
InChIInChI=1S/C10H10N2O2S/c13-2-1-12-5-9(4-11-12)10-3-8(6-14)7-15-10/h3-7,13H,1-2H2
InChIKeyZOYOXIDMWJVNJP-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.42
Rot. Bonds4

About 5-[1-(2-hydroxyethyl)pyrazol-4-yl]thiophene-3-carbaldehyde

5-[1-(2-hydroxyethyl)pyrazol-4-yl]thiophene-3-carbaldehyde (PubChem CID 142706253) has the molecular formula C10H10N2O2S and a molecular weight of 222.27 g/mol. Its IUPAC name is 5-[1-(2-hydroxyethyl)pyrazol-4-yl]thiophene-3-carbaldehyde.

Molecular Properties

Compound Name5-[1-(2-hydroxyethyl)pyrazol-4-yl]thiophene-3-carbaldehyde
PubChem CID142706253
Molecular FormulaC10H10N2O2S
Molecular Weight222.27 g/mol
Exact Mass222.05
IUPAC Name5-[1-(2-hydroxyethyl)pyrazol-4-yl]thiophene-3-carbaldehyde
SMILESO=Cc1csc(-c2cnn(CCO)c2)c1
InChIInChI=1S/C10H10N2O2S/c13-2-1-12-5-9(4-11-12)10-3-8(6-14)7-15-10/h3-7,13H,1-2H2
InChIKeyZOYOXIDMWJVNJP-UHFFFAOYSA-N
XLogP1.42
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.42
H-Bond Donors ≤ 51
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 5-[1-(2-hydroxyethyl)pyrazol-4-yl]thiophene-3-carbaldehyde?
The IUPAC name of 5-[1-(2-hydroxyethyl)pyrazol-4-yl]thiophene-3-carbaldehyde (CID 142706253) is 5-[1-(2-hydroxyethyl)pyrazol-4-yl]thiophene-3-carbaldehyde.
What is the SMILES notation for 5-[1-(2-hydroxyethyl)pyrazol-4-yl]thiophene-3-carbaldehyde?
The canonical SMILES for 5-[1-(2-hydroxyethyl)pyrazol-4-yl]thiophene-3-carbaldehyde is O=Cc1csc(-c2cnn(CCO)c2)c1.
What is the InChIKey of 5-[1-(2-hydroxyethyl)pyrazol-4-yl]thiophene-3-carbaldehyde?
The InChIKey is ZOYOXIDMWJVNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S/c13-2-1-12-5-9(4-11-12)10-3-8(6-14)7-15-10/h3-7,13H,1-2H2.
What are the key properties of 5-[1-(2-hydroxyethyl)pyrazol-4-yl]thiophene-3-carbaldehyde?
5-[1-(2-hydroxyethyl)pyrazol-4-yl]thiophene-3-carbaldehyde has a molecular weight of 222.27 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-hydroxyethyl)pyrazol-4-yl]thiophene-3-carbaldehyde is sourced from PubChem (CID 142706253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).