1-cyclopentyl-5-fluoropyrazole-4-carbaldehyde

C9H11FN2O — CID 115016107

IUPAC1-cyclopentyl-5-fluoropyrazole-4-carbaldehyde
SMILESO=Cc1cnn(C2CCCC2)c1F
InChIInChI=1S/C9H11FN2O/c10-9-7(6-13)5-11-12(9)8-3-1-2-4-8/h5-6,8H,1-4H2
InChIKeyATLQGSPLKLOWPK-UHFFFAOYSA-N
MW182.20 g/mol
LogP1.95
Rot. Bonds2

About 1-cyclopentyl-5-fluoropyrazole-4-carbaldehyde

1-cyclopentyl-5-fluoropyrazole-4-carbaldehyde (PubChem CID 115016107) has the molecular formula C9H11FN2O and a molecular weight of 182.20 g/mol. Its IUPAC name is 1-cyclopentyl-5-fluoropyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1-cyclopentyl-5-fluoropyrazole-4-carbaldehyde
PubChem CID115016107
Molecular FormulaC9H11FN2O
Molecular Weight182.20 g/mol
Exact Mass182.09
IUPAC Name1-cyclopentyl-5-fluoropyrazole-4-carbaldehyde
SMILESO=Cc1cnn(C2CCCC2)c1F
InChIInChI=1S/C9H11FN2O/c10-9-7(6-13)5-11-12(9)8-3-1-2-4-8/h5-6,8H,1-4H2
InChIKeyATLQGSPLKLOWPK-UHFFFAOYSA-N
XLogP1.95
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 51.95
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-cyclopentyl-5-fluoropyrazole-4-carbaldehyde?
The IUPAC name of 1-cyclopentyl-5-fluoropyrazole-4-carbaldehyde (CID 115016107) is 1-cyclopentyl-5-fluoropyrazole-4-carbaldehyde.
What is the SMILES notation for 1-cyclopentyl-5-fluoropyrazole-4-carbaldehyde?
The canonical SMILES for 1-cyclopentyl-5-fluoropyrazole-4-carbaldehyde is O=Cc1cnn(C2CCCC2)c1F.
What is the InChIKey of 1-cyclopentyl-5-fluoropyrazole-4-carbaldehyde?
The InChIKey is ATLQGSPLKLOWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O/c10-9-7(6-13)5-11-12(9)8-3-1-2-4-8/h5-6,8H,1-4H2.
What are the key properties of 1-cyclopentyl-5-fluoropyrazole-4-carbaldehyde?
1-cyclopentyl-5-fluoropyrazole-4-carbaldehyde has a molecular weight of 182.20 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-5-fluoropyrazole-4-carbaldehyde is sourced from PubChem (CID 115016107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).