1-cyclopentylpyrazole-4-carbaldehyde

C9H12N2O — CID 25247758

IUPAC1-cyclopentylpyrazole-4-carbaldehyde
SMILESO=Cc1cnn(C2CCCC2)c1
InChIInChI=1S/C9H12N2O/c12-7-8-5-10-11(6-8)9-3-1-2-4-9/h5-7,9H,1-4H2
InChIKeyGIFSSVWQIBHAEI-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.81
Rot. Bonds2

About 1-cyclopentylpyrazole-4-carbaldehyde

1-cyclopentylpyrazole-4-carbaldehyde (PubChem CID 25247758) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 1-cyclopentylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1-cyclopentylpyrazole-4-carbaldehyde
PubChem CID25247758
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name1-cyclopentylpyrazole-4-carbaldehyde
SMILESO=Cc1cnn(C2CCCC2)c1
InChIInChI=1S/C9H12N2O/c12-7-8-5-10-11(6-8)9-3-1-2-4-9/h5-7,9H,1-4H2
InChIKeyGIFSSVWQIBHAEI-UHFFFAOYSA-N
XLogP1.81
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.81
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 1-cyclopentylpyrazole-4-carbaldehyde?
The IUPAC name of 1-cyclopentylpyrazole-4-carbaldehyde (CID 25247758) is 1-cyclopentylpyrazole-4-carbaldehyde.
What is the SMILES notation for 1-cyclopentylpyrazole-4-carbaldehyde?
The canonical SMILES for 1-cyclopentylpyrazole-4-carbaldehyde is O=Cc1cnn(C2CCCC2)c1.
What is the InChIKey of 1-cyclopentylpyrazole-4-carbaldehyde?
The InChIKey is GIFSSVWQIBHAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c12-7-8-5-10-11(6-8)9-3-1-2-4-9/h5-7,9H,1-4H2.
What are the key properties of 1-cyclopentylpyrazole-4-carbaldehyde?
1-cyclopentylpyrazole-4-carbaldehyde has a molecular weight of 164.21 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentylpyrazole-4-carbaldehyde is sourced from PubChem (CID 25247758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).