3-(1H-pyrazol-4-yl)pyrrolidine-1-carbaldehyde

C8H11N3O — CID 91576936

IUPAC3-(1H-pyrazol-4-yl)pyrrolidine-1-carbaldehyde
SMILESO=CN1CCC(c2cn[nH]c2)C1
InChIInChI=1S/C8H11N3O/c12-6-11-2-1-7(5-11)8-3-9-10-4-8/h3-4,6-7H,1-2,5H2,(H,9,10)
InChIKeyZHECYDCYTPQRSV-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.36
Rot. Bonds2

About 3-(1H-pyrazol-4-yl)pyrrolidine-1-carbaldehyde

3-(1H-pyrazol-4-yl)pyrrolidine-1-carbaldehyde (PubChem CID 91576936) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 3-(1H-pyrazol-4-yl)pyrrolidine-1-carbaldehyde.

Molecular Properties

Compound Name3-(1H-pyrazol-4-yl)pyrrolidine-1-carbaldehyde
PubChem CID91576936
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name3-(1H-pyrazol-4-yl)pyrrolidine-1-carbaldehyde
SMILESO=CN1CCC(c2cn[nH]c2)C1
InChIInChI=1S/C8H11N3O/c12-6-11-2-1-7(5-11)8-3-9-10-4-8/h3-4,6-7H,1-2,5H2,(H,9,10)
InChIKeyZHECYDCYTPQRSV-UHFFFAOYSA-N
XLogP0.36
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(1H-pyrazol-4-yl)pyrrolidine-1-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-(1H-pyrazol-4-yl)pyrrolidine-1-carbaldehyde?
The IUPAC name of 3-(1H-pyrazol-4-yl)pyrrolidine-1-carbaldehyde (CID 91576936) is 3-(1H-pyrazol-4-yl)pyrrolidine-1-carbaldehyde.
What is the SMILES notation for 3-(1H-pyrazol-4-yl)pyrrolidine-1-carbaldehyde?
The canonical SMILES for 3-(1H-pyrazol-4-yl)pyrrolidine-1-carbaldehyde is O=CN1CCC(c2cn[nH]c2)C1.
What is the InChIKey of 3-(1H-pyrazol-4-yl)pyrrolidine-1-carbaldehyde?
The InChIKey is ZHECYDCYTPQRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c12-6-11-2-1-7(5-11)8-3-9-10-4-8/h3-4,6-7H,1-2,5H2,(H,9,10).
What are the key properties of 3-(1H-pyrazol-4-yl)pyrrolidine-1-carbaldehyde?
3-(1H-pyrazol-4-yl)pyrrolidine-1-carbaldehyde has a molecular weight of 165.20 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrazol-4-yl)pyrrolidine-1-carbaldehyde is sourced from PubChem (CID 91576936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).