3-chloro-5-cyclopentyl-1H-pyrazole-4-carbaldehyde

C9H11ClN2O — CID 82398002

IUPAC3-chloro-5-cyclopentyl-1H-pyrazole-4-carbaldehyde
SMILESO=Cc1c(Cl)n[nH]c1C1CCCC1
InChIInChI=1S/C9H11ClN2O/c10-9-7(5-13)8(11-12-9)6-3-1-2-4-6/h5-6H,1-4H2,(H,11,12)
InChIKeyZNOCWNJJLWNYBQ-UHFFFAOYSA-N
MW198.65 g/mol
LogP2.53
Rot. Bonds2

About 3-chloro-5-cyclopentyl-1H-pyrazole-4-carbaldehyde

3-chloro-5-cyclopentyl-1H-pyrazole-4-carbaldehyde (PubChem CID 82398002) has the molecular formula C9H11ClN2O and a molecular weight of 198.65 g/mol. Its IUPAC name is 3-chloro-5-cyclopentyl-1H-pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name3-chloro-5-cyclopentyl-1H-pyrazole-4-carbaldehyde
PubChem CID82398002
Molecular FormulaC9H11ClN2O
Molecular Weight198.65 g/mol
Exact Mass198.06
IUPAC Name3-chloro-5-cyclopentyl-1H-pyrazole-4-carbaldehyde
SMILESO=Cc1c(Cl)n[nH]c1C1CCCC1
InChIInChI=1S/C9H11ClN2O/c10-9-7(5-13)8(11-12-9)6-3-1-2-4-6/h5-6H,1-4H2,(H,11,12)
InChIKeyZNOCWNJJLWNYBQ-UHFFFAOYSA-N
XLogP2.53
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-chloro-5-cyclopentyl-1H-pyrazole-4-carbaldehyde with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-cyclopentyl-1H-pyrazole-4-carbaldehyde?
The IUPAC name of 3-chloro-5-cyclopentyl-1H-pyrazole-4-carbaldehyde (CID 82398002) is 3-chloro-5-cyclopentyl-1H-pyrazole-4-carbaldehyde.
What is the SMILES notation for 3-chloro-5-cyclopentyl-1H-pyrazole-4-carbaldehyde?
The canonical SMILES for 3-chloro-5-cyclopentyl-1H-pyrazole-4-carbaldehyde is O=Cc1c(Cl)n[nH]c1C1CCCC1.
What is the InChIKey of 3-chloro-5-cyclopentyl-1H-pyrazole-4-carbaldehyde?
The InChIKey is ZNOCWNJJLWNYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O/c10-9-7(5-13)8(11-12-9)6-3-1-2-4-6/h5-6H,1-4H2,(H,11,12).
What are the key properties of 3-chloro-5-cyclopentyl-1H-pyrazole-4-carbaldehyde?
3-chloro-5-cyclopentyl-1H-pyrazole-4-carbaldehyde has a molecular weight of 198.65 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-cyclopentyl-1H-pyrazole-4-carbaldehyde is sourced from PubChem (CID 82398002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).