1-(1-ethylpyrrolidin-3-yl)-3,5-dimethylpyrazole-4-carbaldehyde

C12H19N3O — CID 105477944

IUPAC1-(1-ethylpyrrolidin-3-yl)-3,5-dimethylpyrazole-4-carbaldehyde
SMILESCCN1CCC(n2nc(C)c(C=O)c2C)C1
InChIInChI=1S/C12H19N3O/c1-4-14-6-5-11(7-14)15-10(3)12(8-16)9(2)13-15/h8,11H,4-7H2,1-3H3
InChIKeyXIOVRQUHCLPDJZ-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.58
Rot. Bonds3

About 1-(1-ethylpyrrolidin-3-yl)-3,5-dimethylpyrazole-4-carbaldehyde

1-(1-ethylpyrrolidin-3-yl)-3,5-dimethylpyrazole-4-carbaldehyde (PubChem CID 105477944) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-(1-ethylpyrrolidin-3-yl)-3,5-dimethylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1-(1-ethylpyrrolidin-3-yl)-3,5-dimethylpyrazole-4-carbaldehyde
PubChem CID105477944
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-(1-ethylpyrrolidin-3-yl)-3,5-dimethylpyrazole-4-carbaldehyde
SMILESCCN1CCC(n2nc(C)c(C=O)c2C)C1
InChIInChI=1S/C12H19N3O/c1-4-14-6-5-11(7-14)15-10(3)12(8-16)9(2)13-15/h8,11H,4-7H2,1-3H3
InChIKeyXIOVRQUHCLPDJZ-UHFFFAOYSA-N
XLogP1.58
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(1-ethylpyrrolidin-3-yl)-3,5-dimethylpyrazole-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-(1-ethylpyrrolidin-3-yl)-3,5-dimethylpyrazole-4-carbaldehyde?
The IUPAC name of 1-(1-ethylpyrrolidin-3-yl)-3,5-dimethylpyrazole-4-carbaldehyde (CID 105477944) is 1-(1-ethylpyrrolidin-3-yl)-3,5-dimethylpyrazole-4-carbaldehyde.
What is the SMILES notation for 1-(1-ethylpyrrolidin-3-yl)-3,5-dimethylpyrazole-4-carbaldehyde?
The canonical SMILES for 1-(1-ethylpyrrolidin-3-yl)-3,5-dimethylpyrazole-4-carbaldehyde is CCN1CCC(n2nc(C)c(C=O)c2C)C1.
What is the InChIKey of 1-(1-ethylpyrrolidin-3-yl)-3,5-dimethylpyrazole-4-carbaldehyde?
The InChIKey is XIOVRQUHCLPDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-4-14-6-5-11(7-14)15-10(3)12(8-16)9(2)13-15/h8,11H,4-7H2,1-3H3.
What are the key properties of 1-(1-ethylpyrrolidin-3-yl)-3,5-dimethylpyrazole-4-carbaldehyde?
1-(1-ethylpyrrolidin-3-yl)-3,5-dimethylpyrazole-4-carbaldehyde has a molecular weight of 221.30 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrrolidin-3-yl)-3,5-dimethylpyrazole-4-carbaldehyde is sourced from PubChem (CID 105477944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).