4-ethyl-1-methylpyrazole-5-carbaldehyde

C7H10N2O — CID 88861176

IUPAC4-ethyl-1-methylpyrazole-5-carbaldehyde
SMILESCCc1cnn(C)c1C=O
InChIInChI=1S/C7H10N2O/c1-3-6-4-8-9(2)7(6)5-10/h4-5H,3H2,1-2H3
InChIKeyMFDVAIVIMFGDLY-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.80
Rot. Bonds2

About 4-ethyl-1-methylpyrazole-5-carbaldehyde

4-ethyl-1-methylpyrazole-5-carbaldehyde (PubChem CID 88861176) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 4-ethyl-1-methylpyrazole-5-carbaldehyde.

Molecular Properties

Compound Name4-ethyl-1-methylpyrazole-5-carbaldehyde
PubChem CID88861176
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name4-ethyl-1-methylpyrazole-5-carbaldehyde
SMILESCCc1cnn(C)c1C=O
InChIInChI=1S/C7H10N2O/c1-3-6-4-8-9(2)7(6)5-10/h4-5H,3H2,1-2H3
InChIKeyMFDVAIVIMFGDLY-UHFFFAOYSA-N
XLogP0.80
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-methylpyrazole-5-carbaldehyde?
The IUPAC name of 4-ethyl-1-methylpyrazole-5-carbaldehyde (CID 88861176) is 4-ethyl-1-methylpyrazole-5-carbaldehyde.
What is the SMILES notation for 4-ethyl-1-methylpyrazole-5-carbaldehyde?
The canonical SMILES for 4-ethyl-1-methylpyrazole-5-carbaldehyde is CCc1cnn(C)c1C=O.
What is the InChIKey of 4-ethyl-1-methylpyrazole-5-carbaldehyde?
The InChIKey is MFDVAIVIMFGDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-3-6-4-8-9(2)7(6)5-10/h4-5H,3H2,1-2H3.
What are the key properties of 4-ethyl-1-methylpyrazole-5-carbaldehyde?
4-ethyl-1-methylpyrazole-5-carbaldehyde has a molecular weight of 138.17 g/mol, XLogP of 0.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-methylpyrazole-5-carbaldehyde is sourced from PubChem (CID 88861176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).