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

C10H14N2O2 — CID 83878839

IUPAC2-(2-cyclopentyl-3-oxo-1H-pyrazol-5-yl)acetaldehyde
SMILESO=CCc1cc(=O)n(C2CCCC2)[nH]1
InChIInChI=1S/C10H14N2O2/c13-6-5-8-7-10(14)12(11-8)9-3-1-2-4-9/h6-7,9,11H,1-5H2
InChIKeyVPFUTHFWRQMODM-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.03
Rot. Bonds3

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

2-(2-cyclopentyl-3-oxo-1H-pyrazol-5-yl)acetaldehyde (PubChem CID 83878839) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-(2-cyclopentyl-3-oxo-1H-pyrazol-5-yl)acetaldehyde.

Molecular Properties

Compound Name2-(2-cyclopentyl-3-oxo-1H-pyrazol-5-yl)acetaldehyde
PubChem CID83878839
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2-(2-cyclopentyl-3-oxo-1H-pyrazol-5-yl)acetaldehyde
SMILESO=CCc1cc(=O)n(C2CCCC2)[nH]1
InChIInChI=1S/C10H14N2O2/c13-6-5-8-7-10(14)12(11-8)9-3-1-2-4-9/h6-7,9,11H,1-5H2
InChIKeyVPFUTHFWRQMODM-UHFFFAOYSA-N
XLogP1.03
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-cyclopentyl-3-oxo-1H-pyrazol-5-yl)acetaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclopentyl-5-ethyl-1H-pyrazol-3-one
CID 66020467
2-cyclopentyl-5-propyl-1H-pyrazol-3-one
CID 66020259
2-(2-ethyl-3-oxo-1H-pyrazol-5-yl)acetaldehyde
CID 83872707
2-cyclopentyl-3-oxo-1H-pyrazole-5-carbaldehyde
CID 83875413
2-[2-(2-methylpropyl)-3-oxo-1H-pyrazol-5-yl]acetaldehyde
CID 83876065
2-(2-cyclohexyl-3-oxo-1H-pyrazol-5-yl)acetaldehyde
CID 83883851
2-cyclopentyl-5-(2-oxopropyl)-1H-pyrazol-3-one
CID 83883853
5-(3-aminopropyl)-2-cyclopentyl-1H-pyrazol-3-one
CID 83884642
2-[2-(oxan-4-yl)-3-oxo-1H-pyrazol-5-yl]acetaldehyde
CID 83884958
N-cyclopentyl-2-[2-(2-methylpropyl)-3-oxo-1H-pyrazol-5-yl]acetamide
CID 154832328

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopentyl-3-oxo-1H-pyrazol-5-yl)acetaldehyde?
The IUPAC name of 2-(2-cyclopentyl-3-oxo-1H-pyrazol-5-yl)acetaldehyde (CID 83878839) is 2-(2-cyclopentyl-3-oxo-1H-pyrazol-5-yl)acetaldehyde.
What is the SMILES notation for 2-(2-cyclopentyl-3-oxo-1H-pyrazol-5-yl)acetaldehyde?
The canonical SMILES for 2-(2-cyclopentyl-3-oxo-1H-pyrazol-5-yl)acetaldehyde is O=CCc1cc(=O)n(C2CCCC2)[nH]1.
What is the InChIKey of 2-(2-cyclopentyl-3-oxo-1H-pyrazol-5-yl)acetaldehyde?
The InChIKey is VPFUTHFWRQMODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c13-6-5-8-7-10(14)12(11-8)9-3-1-2-4-9/h6-7,9,11H,1-5H2.
What are the key properties of 2-(2-cyclopentyl-3-oxo-1H-pyrazol-5-yl)acetaldehyde?
2-(2-cyclopentyl-3-oxo-1H-pyrazol-5-yl)acetaldehyde has a molecular weight of 194.23 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopentyl-3-oxo-1H-pyrazol-5-yl)acetaldehyde is sourced from PubChem (CID 83878839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).