1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3,5-dimethylpyrazole-4-carbaldehyde

C11H14N4O2 — CID 43647281

IUPAC1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3,5-dimethylpyrazole-4-carbaldehyde
SMILESCCc1noc(Cn2nc(C)c(C=O)c2C)n1
InChIInChI=1S/C11H14N4O2/c1-4-10-12-11(17-14-10)5-15-8(3)9(6-16)7(2)13-15/h6H,4-5H2,1-3H3
InChIKeyFUVZNXIHNMVDOI-UHFFFAOYSA-N
MW234.26 g/mol
LogP1.31
Rot. Bonds4

About 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3,5-dimethylpyrazole-4-carbaldehyde

1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3,5-dimethylpyrazole-4-carbaldehyde (PubChem CID 43647281) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3,5-dimethylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3,5-dimethylpyrazole-4-carbaldehyde
PubChem CID43647281
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3,5-dimethylpyrazole-4-carbaldehyde
SMILESCCc1noc(Cn2nc(C)c(C=O)c2C)n1
InChIInChI=1S/C11H14N4O2/c1-4-10-12-11(17-14-10)5-15-8(3)9(6-16)7(2)13-15/h6H,4-5H2,1-3H3
InChIKeyFUVZNXIHNMVDOI-UHFFFAOYSA-N
XLogP1.31
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3,5-dimethylpyrazole-4-carbaldehyde?
The IUPAC name of 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3,5-dimethylpyrazole-4-carbaldehyde (CID 43647281) is 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3,5-dimethylpyrazole-4-carbaldehyde.
What is the SMILES notation for 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3,5-dimethylpyrazole-4-carbaldehyde?
The canonical SMILES for 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3,5-dimethylpyrazole-4-carbaldehyde is CCc1noc(Cn2nc(C)c(C=O)c2C)n1.
What is the InChIKey of 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3,5-dimethylpyrazole-4-carbaldehyde?
The InChIKey is FUVZNXIHNMVDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-4-10-12-11(17-14-10)5-15-8(3)9(6-16)7(2)13-15/h6H,4-5H2,1-3H3.
What are the key properties of 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3,5-dimethylpyrazole-4-carbaldehyde?
1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3,5-dimethylpyrazole-4-carbaldehyde has a molecular weight of 234.26 g/mol, XLogP of 1.31, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3,5-dimethylpyrazole-4-carbaldehyde is sourced from PubChem (CID 43647281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).