3,5-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-4-carbaldehyde

C12H17N3O2 — CID 43647185

IUPAC3,5-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-4-carbaldehyde
SMILESCc1nn(CC(=O)N2CCCC2)c(C)c1C=O
InChIInChI=1S/C12H17N3O2/c1-9-11(8-16)10(2)15(13-9)7-12(17)14-5-3-4-6-14/h8H,3-7H2,1-2H3
InChIKeyDBDCFRJWFGGMMI-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.93
Rot. Bonds3

About 3,5-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-4-carbaldehyde

3,5-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-4-carbaldehyde (PubChem CID 43647185) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 3,5-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name3,5-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-4-carbaldehyde
PubChem CID43647185
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name3,5-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-4-carbaldehyde
SMILESCc1nn(CC(=O)N2CCCC2)c(C)c1C=O
InChIInChI=1S/C12H17N3O2/c1-9-11(8-16)10(2)15(13-9)7-12(17)14-5-3-4-6-14/h8H,3-7H2,1-2H3
InChIKeyDBDCFRJWFGGMMI-UHFFFAOYSA-N
XLogP0.93
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3,5-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)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

Related Compounds

2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-pyrrolidin-1-ylethanone
CID 39891679
1-(azocan-1-yl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethanone
CID 40753587
2-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]-1-pyrrolidin-1-ylethanone
CID 66402660
2-(4-formyl-3,5-dimethylpyrazol-1-yl)-N-methyl-N-propan-2-ylacetamide
CID 43647167
2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(1,4-thiazepan-4-yl)ethanone
CID 61418370
1-(1,4-diazepan-1-yl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanone
CID 54982396
2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(4,4-dimethylazepan-1-yl)ethanone
CID 65283507
1-(azepan-1-yl)-2-(3-methylindazol-1-yl)ethanone
CID 20886096
(2-oxo-2-pyrrolidin-1-ylethyl) 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
CID 61320656
3,5-dimethyl-1-propylpyrazole-4-carbaldehyde
CID 6486756
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-(4-prop-2-enyl-1,4-diazepan-1-yl)ethanone
CID 95749759
3-(4-formyl-3,5-dimethylpyrazol-1-yl)-2,2-dimethylpropanoic acid
CID 79619821

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-4-carbaldehyde?
The IUPAC name of 3,5-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-4-carbaldehyde (CID 43647185) is 3,5-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-4-carbaldehyde.
What is the SMILES notation for 3,5-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-4-carbaldehyde?
The canonical SMILES for 3,5-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-4-carbaldehyde is Cc1nn(CC(=O)N2CCCC2)c(C)c1C=O.
What is the InChIKey of 3,5-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-4-carbaldehyde?
The InChIKey is DBDCFRJWFGGMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-9-11(8-16)10(2)15(13-9)7-12(17)14-5-3-4-6-14/h8H,3-7H2,1-2H3.
What are the key properties of 3,5-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-4-carbaldehyde?
3,5-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-4-carbaldehyde has a molecular weight of 235.29 g/mol, XLogP of 0.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-4-carbaldehyde is sourced from PubChem (CID 43647185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).