3-ethyl-1-methyl-5-morpholin-4-ylpyrazole-4-carbaldehyde

C11H17N3O2 — CID 58764134

IUPAC3-ethyl-1-methyl-5-morpholin-4-ylpyrazole-4-carbaldehyde
SMILESCCc1nn(C)c(N2CCOCC2)c1C=O
InChIInChI=1S/C11H17N3O2/c1-3-10-9(8-15)11(13(2)12-10)14-4-6-16-7-5-14/h8H,3-7H2,1-2H3
InChIKeyIMUSYHCANRWPRR-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.63
Rot. Bonds3

About 3-ethyl-1-methyl-5-morpholin-4-ylpyrazole-4-carbaldehyde

3-ethyl-1-methyl-5-morpholin-4-ylpyrazole-4-carbaldehyde (PubChem CID 58764134) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-ethyl-1-methyl-5-morpholin-4-ylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name3-ethyl-1-methyl-5-morpholin-4-ylpyrazole-4-carbaldehyde
PubChem CID58764134
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name3-ethyl-1-methyl-5-morpholin-4-ylpyrazole-4-carbaldehyde
SMILESCCc1nn(C)c(N2CCOCC2)c1C=O
InChIInChI=1S/C11H17N3O2/c1-3-10-9(8-15)11(13(2)12-10)14-4-6-16-7-5-14/h8H,3-7H2,1-2H3
InChIKeyIMUSYHCANRWPRR-UHFFFAOYSA-N
XLogP0.63
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.63
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 3-ethyl-1-methyl-5-morpholin-4-ylpyrazole-4-carbaldehyde?
The IUPAC name of 3-ethyl-1-methyl-5-morpholin-4-ylpyrazole-4-carbaldehyde (CID 58764134) is 3-ethyl-1-methyl-5-morpholin-4-ylpyrazole-4-carbaldehyde.
What is the SMILES notation for 3-ethyl-1-methyl-5-morpholin-4-ylpyrazole-4-carbaldehyde?
The canonical SMILES for 3-ethyl-1-methyl-5-morpholin-4-ylpyrazole-4-carbaldehyde is CCc1nn(C)c(N2CCOCC2)c1C=O.
What is the InChIKey of 3-ethyl-1-methyl-5-morpholin-4-ylpyrazole-4-carbaldehyde?
The InChIKey is IMUSYHCANRWPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-3-10-9(8-15)11(13(2)12-10)14-4-6-16-7-5-14/h8H,3-7H2,1-2H3.
What are the key properties of 3-ethyl-1-methyl-5-morpholin-4-ylpyrazole-4-carbaldehyde?
3-ethyl-1-methyl-5-morpholin-4-ylpyrazole-4-carbaldehyde has a molecular weight of 223.28 g/mol, XLogP of 0.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-5-morpholin-4-ylpyrazole-4-carbaldehyde is sourced from PubChem (CID 58764134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).