1-cyclopentyl-5-methylpyrazole-4-carbaldehyde

C10H14N2O — CID 19620102

IUPAC1-cyclopentyl-5-methylpyrazole-4-carbaldehyde
SMILESCc1c(C=O)cnn1C1CCCC1
InChIInChI=1S/C10H14N2O/c1-8-9(7-13)6-11-12(8)10-4-2-3-5-10/h6-7,10H,2-5H2,1H3
InChIKeyVUIHXPDPHBISNL-UHFFFAOYSA-N
MW178.24 g/mol
LogP2.12
Rot. Bonds2

About 1-cyclopentyl-5-methylpyrazole-4-carbaldehyde

1-cyclopentyl-5-methylpyrazole-4-carbaldehyde (PubChem CID 19620102) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 1-cyclopentyl-5-methylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1-cyclopentyl-5-methylpyrazole-4-carbaldehyde
PubChem CID19620102
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name1-cyclopentyl-5-methylpyrazole-4-carbaldehyde
SMILESCc1c(C=O)cnn1C1CCCC1
InChIInChI=1S/C10H14N2O/c1-8-9(7-13)6-11-12(8)10-4-2-3-5-10/h6-7,10H,2-5H2,1H3
InChIKeyVUIHXPDPHBISNL-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 1-cyclopentyl-5-methylpyrazole-4-carbaldehyde?
The IUPAC name of 1-cyclopentyl-5-methylpyrazole-4-carbaldehyde (CID 19620102) is 1-cyclopentyl-5-methylpyrazole-4-carbaldehyde.
What is the SMILES notation for 1-cyclopentyl-5-methylpyrazole-4-carbaldehyde?
The canonical SMILES for 1-cyclopentyl-5-methylpyrazole-4-carbaldehyde is Cc1c(C=O)cnn1C1CCCC1.
What is the InChIKey of 1-cyclopentyl-5-methylpyrazole-4-carbaldehyde?
The InChIKey is VUIHXPDPHBISNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-8-9(7-13)6-11-12(8)10-4-2-3-5-10/h6-7,10H,2-5H2,1H3.
What are the key properties of 1-cyclopentyl-5-methylpyrazole-4-carbaldehyde?
1-cyclopentyl-5-methylpyrazole-4-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 1-cyclopentyl-5-methylpyrazole-4-carbaldehyde is sourced from PubChem (CID 19620102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).