1-cyclopentyl-3-iodopyrazole-4-carbaldehyde

C9H11IN2O — CID 146680336

IUPAC1-cyclopentyl-3-iodopyrazole-4-carbaldehyde
SMILESO=Cc1cn(C2CCCC2)nc1I
InChIInChI=1S/C9H11IN2O/c10-9-7(6-13)5-12(11-9)8-3-1-2-4-8/h5-6,8H,1-4H2
InChIKeyXOFQCNNAGBTMBA-UHFFFAOYSA-N
MW290.10 g/mol
LogP2.42
Rot. Bonds2

About 1-cyclopentyl-3-iodopyrazole-4-carbaldehyde

1-cyclopentyl-3-iodopyrazole-4-carbaldehyde (PubChem CID 146680336) has the molecular formula C9H11IN2O and a molecular weight of 290.10 g/mol. Its IUPAC name is 1-cyclopentyl-3-iodopyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1-cyclopentyl-3-iodopyrazole-4-carbaldehyde
PubChem CID146680336
Molecular FormulaC9H11IN2O
Molecular Weight290.10 g/mol
Exact Mass289.99
IUPAC Name1-cyclopentyl-3-iodopyrazole-4-carbaldehyde
SMILESO=Cc1cn(C2CCCC2)nc1I
InChIInChI=1S/C9H11IN2O/c10-9-7(6-13)5-12(11-9)8-3-1-2-4-8/h5-6,8H,1-4H2
InChIKeyXOFQCNNAGBTMBA-UHFFFAOYSA-N
XLogP2.42
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.10
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-iodopyrazole-4-carbaldehyde?
The IUPAC name of 1-cyclopentyl-3-iodopyrazole-4-carbaldehyde (CID 146680336) is 1-cyclopentyl-3-iodopyrazole-4-carbaldehyde.
What is the SMILES notation for 1-cyclopentyl-3-iodopyrazole-4-carbaldehyde?
The canonical SMILES for 1-cyclopentyl-3-iodopyrazole-4-carbaldehyde is O=Cc1cn(C2CCCC2)nc1I.
What is the InChIKey of 1-cyclopentyl-3-iodopyrazole-4-carbaldehyde?
The InChIKey is XOFQCNNAGBTMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11IN2O/c10-9-7(6-13)5-12(11-9)8-3-1-2-4-8/h5-6,8H,1-4H2.
What are the key properties of 1-cyclopentyl-3-iodopyrazole-4-carbaldehyde?
1-cyclopentyl-3-iodopyrazole-4-carbaldehyde has a molecular weight of 290.10 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-iodopyrazole-4-carbaldehyde is sourced from PubChem (CID 146680336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).