1-(2-hydroxycyclopentyl)pyrazole-4-carbaldehyde

C9H12N2O2 — CID 62713729

IUPAC1-(2-hydroxycyclopentyl)pyrazole-4-carbaldehyde
SMILESO=Cc1cnn(C2CCCC2O)c1
InChIInChI=1S/C9H12N2O2/c12-6-7-4-10-11(5-7)8-2-1-3-9(8)13/h4-6,8-9,13H,1-3H2
InChIKeyOWLCSMCBFQYEAG-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.78
Rot. Bonds2

About 1-(2-hydroxycyclopentyl)pyrazole-4-carbaldehyde

1-(2-hydroxycyclopentyl)pyrazole-4-carbaldehyde (PubChem CID 62713729) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 1-(2-hydroxycyclopentyl)pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1-(2-hydroxycyclopentyl)pyrazole-4-carbaldehyde
PubChem CID62713729
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name1-(2-hydroxycyclopentyl)pyrazole-4-carbaldehyde
SMILESO=Cc1cnn(C2CCCC2O)c1
InChIInChI=1S/C9H12N2O2/c12-6-7-4-10-11(5-7)8-2-1-3-9(8)13/h4-6,8-9,13H,1-3H2
InChIKeyOWLCSMCBFQYEAG-UHFFFAOYSA-N
XLogP0.78
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2-hydroxycyclopentyl)pyrazole-4-carbaldehyde?
The IUPAC name of 1-(2-hydroxycyclopentyl)pyrazole-4-carbaldehyde (CID 62713729) is 1-(2-hydroxycyclopentyl)pyrazole-4-carbaldehyde.
What is the SMILES notation for 1-(2-hydroxycyclopentyl)pyrazole-4-carbaldehyde?
The canonical SMILES for 1-(2-hydroxycyclopentyl)pyrazole-4-carbaldehyde is O=Cc1cnn(C2CCCC2O)c1.
What is the InChIKey of 1-(2-hydroxycyclopentyl)pyrazole-4-carbaldehyde?
The InChIKey is OWLCSMCBFQYEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c12-6-7-4-10-11(5-7)8-2-1-3-9(8)13/h4-6,8-9,13H,1-3H2.
What are the key properties of 1-(2-hydroxycyclopentyl)pyrazole-4-carbaldehyde?
1-(2-hydroxycyclopentyl)pyrazole-4-carbaldehyde has a molecular weight of 180.21 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxycyclopentyl)pyrazole-4-carbaldehyde is sourced from PubChem (CID 62713729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).