1-[(3S)-oxolan-3-yl]pyrazole-4-carbaldehyde

C8H10N2O2 — CID 129369752

IUPAC1-[(3S)-oxolan-3-yl]pyrazole-4-carbaldehyde
SMILESO=Cc1cnn([C@H]2CCOC2)c1
InChIInChI=1S/C8H10N2O2/c11-5-7-3-9-10(4-7)8-1-2-12-6-8/h3-5,8H,1-2,6H2/t8-/m0/s1
InChIKeyHYVFPDBNBJSNNK-QMMMGPOBSA-N
MW166.18 g/mol
LogP0.66
Rot. Bonds2

About 1-[(3S)-oxolan-3-yl]pyrazole-4-carbaldehyde

1-[(3S)-oxolan-3-yl]pyrazole-4-carbaldehyde (PubChem CID 129369752) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 1-[(3S)-oxolan-3-yl]pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1-[(3S)-oxolan-3-yl]pyrazole-4-carbaldehyde
PubChem CID129369752
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name1-[(3S)-oxolan-3-yl]pyrazole-4-carbaldehyde
SMILESO=Cc1cnn([C@H]2CCOC2)c1
InChIInChI=1S/C8H10N2O2/c11-5-7-3-9-10(4-7)8-1-2-12-6-8/h3-5,8H,1-2,6H2/t8-/m0/s1
InChIKeyHYVFPDBNBJSNNK-QMMMGPOBSA-N
XLogP0.66
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[(3S)-oxolan-3-yl]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 1-[(3S)-oxolan-3-yl]pyrazole-4-carbaldehyde?
The IUPAC name of 1-[(3S)-oxolan-3-yl]pyrazole-4-carbaldehyde (CID 129369752) is 1-[(3S)-oxolan-3-yl]pyrazole-4-carbaldehyde.
What is the SMILES notation for 1-[(3S)-oxolan-3-yl]pyrazole-4-carbaldehyde?
The canonical SMILES for 1-[(3S)-oxolan-3-yl]pyrazole-4-carbaldehyde is O=Cc1cnn([C@H]2CCOC2)c1.
What is the InChIKey of 1-[(3S)-oxolan-3-yl]pyrazole-4-carbaldehyde?
The InChIKey is HYVFPDBNBJSNNK-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H10N2O2/c11-5-7-3-9-10(4-7)8-1-2-12-6-8/h3-5,8H,1-2,6H2/t8-/m0/s1.
What are the key properties of 1-[(3S)-oxolan-3-yl]pyrazole-4-carbaldehyde?
1-[(3S)-oxolan-3-yl]pyrazole-4-carbaldehyde has a molecular weight of 166.18 g/mol, XLogP of 0.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-oxolan-3-yl]pyrazole-4-carbaldehyde is sourced from PubChem (CID 129369752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).