3-ethyl-1-methylpyrazole-5-carbaldehyde

C7H10N2O — CID 57441001

IUPAC3-ethyl-1-methylpyrazole-5-carbaldehyde
SMILESCCc1cc(C=O)n(C)n1
InChIInChI=1S/C7H10N2O/c1-3-6-4-7(5-10)9(2)8-6/h4-5H,3H2,1-2H3
InChIKeyUOGCZCWOHJGLSV-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.80
Rot. Bonds2

About 3-ethyl-1-methylpyrazole-5-carbaldehyde

3-ethyl-1-methylpyrazole-5-carbaldehyde (PubChem CID 57441001) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 3-ethyl-1-methylpyrazole-5-carbaldehyde.

Molecular Properties

Compound Name3-ethyl-1-methylpyrazole-5-carbaldehyde
PubChem CID57441001
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name3-ethyl-1-methylpyrazole-5-carbaldehyde
SMILESCCc1cc(C=O)n(C)n1
InChIInChI=1S/C7H10N2O/c1-3-6-4-7(5-10)9(2)8-6/h4-5H,3H2,1-2H3
InChIKeyUOGCZCWOHJGLSV-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 3-ethyl-1-methylpyrazole-5-carbaldehyde?
The IUPAC name of 3-ethyl-1-methylpyrazole-5-carbaldehyde (CID 57441001) is 3-ethyl-1-methylpyrazole-5-carbaldehyde.
What is the SMILES notation for 3-ethyl-1-methylpyrazole-5-carbaldehyde?
The canonical SMILES for 3-ethyl-1-methylpyrazole-5-carbaldehyde is CCc1cc(C=O)n(C)n1.
What is the InChIKey of 3-ethyl-1-methylpyrazole-5-carbaldehyde?
The InChIKey is UOGCZCWOHJGLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-3-6-4-7(5-10)9(2)8-6/h4-5H,3H2,1-2H3.
What are the key properties of 3-ethyl-1-methylpyrazole-5-carbaldehyde?
3-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 3-ethyl-1-methylpyrazole-5-carbaldehyde is sourced from PubChem (CID 57441001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).