1,3-dimethyl-5-morpholin-4-ylpyrazole-4-carbaldehyde

C10H15N3O2 — CID 2776494

IUPAC1,3-dimethyl-5-morpholin-4-ylpyrazole-4-carbaldehyde
SMILESCc1nn(C)c(N2CCOCC2)c1C=O
InChIInChI=1S/C10H15N3O2/c1-8-9(7-14)10(12(2)11-8)13-3-5-15-6-4-13/h7H,3-6H2,1-2H3
InChIKeyLWYDVSXDKNQUNB-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.38
Rot. Bonds2

About 1,3-dimethyl-5-morpholin-4-ylpyrazole-4-carbaldehyde

1,3-dimethyl-5-morpholin-4-ylpyrazole-4-carbaldehyde (PubChem CID 2776494) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 1,3-dimethyl-5-morpholin-4-ylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1,3-dimethyl-5-morpholin-4-ylpyrazole-4-carbaldehyde
PubChem CID2776494
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name1,3-dimethyl-5-morpholin-4-ylpyrazole-4-carbaldehyde
SMILESCc1nn(C)c(N2CCOCC2)c1C=O
InChIInChI=1S/C10H15N3O2/c1-8-9(7-14)10(12(2)11-8)13-3-5-15-6-4-13/h7H,3-6H2,1-2H3
InChIKeyLWYDVSXDKNQUNB-UHFFFAOYSA-N
XLogP0.38
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.38
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 1,3-dimethyl-5-morpholin-4-ylpyrazole-4-carbaldehyde?
The IUPAC name of 1,3-dimethyl-5-morpholin-4-ylpyrazole-4-carbaldehyde (CID 2776494) is 1,3-dimethyl-5-morpholin-4-ylpyrazole-4-carbaldehyde.
What is the SMILES notation for 1,3-dimethyl-5-morpholin-4-ylpyrazole-4-carbaldehyde?
The canonical SMILES for 1,3-dimethyl-5-morpholin-4-ylpyrazole-4-carbaldehyde is Cc1nn(C)c(N2CCOCC2)c1C=O.
What is the InChIKey of 1,3-dimethyl-5-morpholin-4-ylpyrazole-4-carbaldehyde?
The InChIKey is LWYDVSXDKNQUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-8-9(7-14)10(12(2)11-8)13-3-5-15-6-4-13/h7H,3-6H2,1-2H3.
What are the key properties of 1,3-dimethyl-5-morpholin-4-ylpyrazole-4-carbaldehyde?
1,3-dimethyl-5-morpholin-4-ylpyrazole-4-carbaldehyde has a molecular weight of 209.25 g/mol, XLogP of 0.38, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-morpholin-4-ylpyrazole-4-carbaldehyde is sourced from PubChem (CID 2776494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).