2-ethyl-5-methylpyrazole-3-carbaldehyde

C7H10N2O — CID 57440999

IUPAC2-ethyl-5-methylpyrazole-3-carbaldehyde
SMILESCCn1nc(C)cc1C=O
InChIInChI=1S/C7H10N2O/c1-3-9-7(5-10)4-6(2)8-9/h4-5H,3H2,1-2H3
InChIKeyVFSBZDSWCXYERK-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.02
Rot. Bonds2

About 2-ethyl-5-methylpyrazole-3-carbaldehyde

2-ethyl-5-methylpyrazole-3-carbaldehyde (PubChem CID 57440999) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 2-ethyl-5-methylpyrazole-3-carbaldehyde.

Molecular Properties

Compound Name2-ethyl-5-methylpyrazole-3-carbaldehyde
PubChem CID57440999
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name2-ethyl-5-methylpyrazole-3-carbaldehyde
SMILESCCn1nc(C)cc1C=O
InChIInChI=1S/C7H10N2O/c1-3-9-7(5-10)4-6(2)8-9/h4-5H,3H2,1-2H3
InChIKeyVFSBZDSWCXYERK-UHFFFAOYSA-N
XLogP1.02
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 ≤ 51.02
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 2-ethyl-5-methylpyrazole-3-carbaldehyde?
The IUPAC name of 2-ethyl-5-methylpyrazole-3-carbaldehyde (CID 57440999) is 2-ethyl-5-methylpyrazole-3-carbaldehyde.
What is the SMILES notation for 2-ethyl-5-methylpyrazole-3-carbaldehyde?
The canonical SMILES for 2-ethyl-5-methylpyrazole-3-carbaldehyde is CCn1nc(C)cc1C=O.
What is the InChIKey of 2-ethyl-5-methylpyrazole-3-carbaldehyde?
The InChIKey is VFSBZDSWCXYERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-3-9-7(5-10)4-6(2)8-9/h4-5H,3H2,1-2H3.
What are the key properties of 2-ethyl-5-methylpyrazole-3-carbaldehyde?
2-ethyl-5-methylpyrazole-3-carbaldehyde has a molecular weight of 138.17 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methylpyrazole-3-carbaldehyde is sourced from PubChem (CID 57440999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).