2-cyclopentyl-5-methylpyrazole-3-carbaldehyde

C10H14N2O — CID 50896489

IUPAC2-cyclopentyl-5-methylpyrazole-3-carbaldehyde
SMILESCc1cc(C=O)n(C2CCCC2)n1
InChIInChI=1S/C10H14N2O/c1-8-6-10(7-13)12(11-8)9-4-2-3-5-9/h6-7,9H,2-5H2,1H3
InChIKeyRJQYBLIWLODOJM-UHFFFAOYSA-N
MW178.24 g/mol
LogP2.12
Rot. Bonds2

About 2-cyclopentyl-5-methylpyrazole-3-carbaldehyde

2-cyclopentyl-5-methylpyrazole-3-carbaldehyde (PubChem CID 50896489) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 2-cyclopentyl-5-methylpyrazole-3-carbaldehyde.

Molecular Properties

Compound Name2-cyclopentyl-5-methylpyrazole-3-carbaldehyde
PubChem CID50896489
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name2-cyclopentyl-5-methylpyrazole-3-carbaldehyde
SMILESCc1cc(C=O)n(C2CCCC2)n1
InChIInChI=1S/C10H14N2O/c1-8-6-10(7-13)12(11-8)9-4-2-3-5-9/h6-7,9H,2-5H2,1H3
InChIKeyRJQYBLIWLODOJM-UHFFFAOYSA-N
XLogP2.12
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 52.12
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 2-cyclopentyl-5-methylpyrazole-3-carbaldehyde?
The IUPAC name of 2-cyclopentyl-5-methylpyrazole-3-carbaldehyde (CID 50896489) is 2-cyclopentyl-5-methylpyrazole-3-carbaldehyde.
What is the SMILES notation for 2-cyclopentyl-5-methylpyrazole-3-carbaldehyde?
The canonical SMILES for 2-cyclopentyl-5-methylpyrazole-3-carbaldehyde is Cc1cc(C=O)n(C2CCCC2)n1.
What is the InChIKey of 2-cyclopentyl-5-methylpyrazole-3-carbaldehyde?
The InChIKey is RJQYBLIWLODOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-8-6-10(7-13)12(11-8)9-4-2-3-5-9/h6-7,9H,2-5H2,1H3.
What are the key properties of 2-cyclopentyl-5-methylpyrazole-3-carbaldehyde?
2-cyclopentyl-5-methylpyrazole-3-carbaldehyde has a molecular weight of 178.24 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-5-methylpyrazole-3-carbaldehyde is sourced from PubChem (CID 50896489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).