1-(2-morpholin-4-ylethyl)pyrazole-4-carbaldehyde

C10H15N3O2 — CID 118380691

IUPAC1-(2-morpholin-4-ylethyl)pyrazole-4-carbaldehyde
SMILESO=Cc1cnn(CCN2CCOCC2)c1
InChIInChI=1S/C10H15N3O2/c14-9-10-7-11-13(8-10)2-1-12-3-5-15-6-4-12/h7-9H,1-6H2
InChIKeyJPTVIDNPOLIYLL-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.03
Rot. Bonds4

About 1-(2-morpholin-4-ylethyl)pyrazole-4-carbaldehyde

1-(2-morpholin-4-ylethyl)pyrazole-4-carbaldehyde (PubChem CID 118380691) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-(2-morpholin-4-ylethyl)pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1-(2-morpholin-4-ylethyl)pyrazole-4-carbaldehyde
PubChem CID118380691
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name1-(2-morpholin-4-ylethyl)pyrazole-4-carbaldehyde
SMILESO=Cc1cnn(CCN2CCOCC2)c1
InChIInChI=1S/C10H15N3O2/c14-9-10-7-11-13(8-10)2-1-12-3-5-15-6-4-12/h7-9H,1-6H2
InChIKeyJPTVIDNPOLIYLL-UHFFFAOYSA-N
XLogP0.03
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.03
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-morpholin-4-ylethyl)pyrazole-4-carbaldehyde?
The IUPAC name of 1-(2-morpholin-4-ylethyl)pyrazole-4-carbaldehyde (CID 118380691) is 1-(2-morpholin-4-ylethyl)pyrazole-4-carbaldehyde.
What is the SMILES notation for 1-(2-morpholin-4-ylethyl)pyrazole-4-carbaldehyde?
The canonical SMILES for 1-(2-morpholin-4-ylethyl)pyrazole-4-carbaldehyde is O=Cc1cnn(CCN2CCOCC2)c1.
What is the InChIKey of 1-(2-morpholin-4-ylethyl)pyrazole-4-carbaldehyde?
The InChIKey is JPTVIDNPOLIYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c14-9-10-7-11-13(8-10)2-1-12-3-5-15-6-4-12/h7-9H,1-6H2.
What are the key properties of 1-(2-morpholin-4-ylethyl)pyrazole-4-carbaldehyde?
1-(2-morpholin-4-ylethyl)pyrazole-4-carbaldehyde has a molecular weight of 209.25 g/mol, XLogP of 0.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-ylethyl)pyrazole-4-carbaldehyde is sourced from PubChem (CID 118380691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).