2-(2-ethyl-3-oxo-1H-pyrazol-5-yl)acetaldehyde

C7H10N2O2 — CID 83872707

IUPAC2-(2-ethyl-3-oxo-1H-pyrazol-5-yl)acetaldehyde
SMILESCCn1[nH]c(CC=O)cc1=O
InChIInChI=1S/C7H10N2O2/c1-2-9-7(11)5-6(8-9)3-4-10/h4-5,8H,2-3H2,1H3
InChIKeyTUDSFTGMGLHUEC-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.06
Rot. Bonds3

About 2-(2-ethyl-3-oxo-1H-pyrazol-5-yl)acetaldehyde

2-(2-ethyl-3-oxo-1H-pyrazol-5-yl)acetaldehyde (PubChem CID 83872707) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 2-(2-ethyl-3-oxo-1H-pyrazol-5-yl)acetaldehyde.

Molecular Properties

Compound Name2-(2-ethyl-3-oxo-1H-pyrazol-5-yl)acetaldehyde
PubChem CID83872707
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name2-(2-ethyl-3-oxo-1H-pyrazol-5-yl)acetaldehyde
SMILESCCn1[nH]c(CC=O)cc1=O
InChIInChI=1S/C7H10N2O2/c1-2-9-7(11)5-6(8-9)3-4-10/h4-5,8H,2-3H2,1H3
InChIKeyTUDSFTGMGLHUEC-UHFFFAOYSA-N
XLogP-0.06
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
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-(2-ethyl-3-oxo-1H-pyrazol-5-yl)acetaldehyde?
The IUPAC name of 2-(2-ethyl-3-oxo-1H-pyrazol-5-yl)acetaldehyde (CID 83872707) is 2-(2-ethyl-3-oxo-1H-pyrazol-5-yl)acetaldehyde.
What is the SMILES notation for 2-(2-ethyl-3-oxo-1H-pyrazol-5-yl)acetaldehyde?
The canonical SMILES for 2-(2-ethyl-3-oxo-1H-pyrazol-5-yl)acetaldehyde is CCn1[nH]c(CC=O)cc1=O.
What is the InChIKey of 2-(2-ethyl-3-oxo-1H-pyrazol-5-yl)acetaldehyde?
The InChIKey is TUDSFTGMGLHUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-2-9-7(11)5-6(8-9)3-4-10/h4-5,8H,2-3H2,1H3.
What are the key properties of 2-(2-ethyl-3-oxo-1H-pyrazol-5-yl)acetaldehyde?
2-(2-ethyl-3-oxo-1H-pyrazol-5-yl)acetaldehyde has a molecular weight of 154.17 g/mol, XLogP of -0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-3-oxo-1H-pyrazol-5-yl)acetaldehyde is sourced from PubChem (CID 83872707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).