3,5-dimethyl-1-(1-propan-2-ylpyrrolidin-3-yl)pyrazole-4-carbaldehyde

C13H21N3O — CID 105496749

IUPAC3,5-dimethyl-1-(1-propan-2-ylpyrrolidin-3-yl)pyrazole-4-carbaldehyde
SMILESCc1nn(C2CCN(C(C)C)C2)c(C)c1C=O
InChIInChI=1S/C13H21N3O/c1-9(2)15-6-5-12(7-15)16-11(4)13(8-17)10(3)14-16/h8-9,12H,5-7H2,1-4H3
InChIKeyYFQIXXSZYGHLIR-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.97
Rot. Bonds3

About 3,5-dimethyl-1-(1-propan-2-ylpyrrolidin-3-yl)pyrazole-4-carbaldehyde

3,5-dimethyl-1-(1-propan-2-ylpyrrolidin-3-yl)pyrazole-4-carbaldehyde (PubChem CID 105496749) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3,5-dimethyl-1-(1-propan-2-ylpyrrolidin-3-yl)pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name3,5-dimethyl-1-(1-propan-2-ylpyrrolidin-3-yl)pyrazole-4-carbaldehyde
PubChem CID105496749
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3,5-dimethyl-1-(1-propan-2-ylpyrrolidin-3-yl)pyrazole-4-carbaldehyde
SMILESCc1nn(C2CCN(C(C)C)C2)c(C)c1C=O
InChIInChI=1S/C13H21N3O/c1-9(2)15-6-5-12(7-15)16-11(4)13(8-17)10(3)14-16/h8-9,12H,5-7H2,1-4H3
InChIKeyYFQIXXSZYGHLIR-UHFFFAOYSA-N
XLogP1.97
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3,5-dimethyl-1-(1-propan-2-ylpyrrolidin-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

Related Compounds

1-(2,6-dioxaspiro[4.5]decan-9-yl)-3,5-dimethylpyrazole-4-carbaldehyde
CID 79920387
(Z)-3-(1-propan-2-ylpiperidin-4-yl)prop-2-enal
CID 117266045
(3S)-1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine
CID 130210207
1-propan-2-yl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine
CID 58904691
formic acid;4-(1-propan-2-ylpyrrolidin-3-yl)morpholine
CID 169177347
[2-(1-propan-2-ylpyrrolidin-3-yl)pyrazol-3-yl]methanamine
CID 105462337
1-propan-2-yl-4-(1,2,4-triazol-4-yl)piperidine
CID 147700791
1-(1-propan-2-ylpyrrolidin-3-yl)piperidine
CID 58850224
1-[(3S)-1-propan-2-ylpyrrolidin-3-yl]imidazole
CID 59927644
1-[1-(1-ethylpyrrolidin-3-yl)-3,5-dimethylpyrazol-4-yl]ethanone
CID 105496750
3,5-dimethyl-1-[1-(3-methylbutan-2-yl)pyrrolidin-3-yl]pyrazole
CID 163839077
4-chloro-2-methyl-6-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]pyrimidine-5-carbaldehyde
CID 80732605

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-(1-propan-2-ylpyrrolidin-3-yl)pyrazole-4-carbaldehyde?
The IUPAC name of 3,5-dimethyl-1-(1-propan-2-ylpyrrolidin-3-yl)pyrazole-4-carbaldehyde (CID 105496749) is 3,5-dimethyl-1-(1-propan-2-ylpyrrolidin-3-yl)pyrazole-4-carbaldehyde.
What is the SMILES notation for 3,5-dimethyl-1-(1-propan-2-ylpyrrolidin-3-yl)pyrazole-4-carbaldehyde?
The canonical SMILES for 3,5-dimethyl-1-(1-propan-2-ylpyrrolidin-3-yl)pyrazole-4-carbaldehyde is Cc1nn(C2CCN(C(C)C)C2)c(C)c1C=O.
What is the InChIKey of 3,5-dimethyl-1-(1-propan-2-ylpyrrolidin-3-yl)pyrazole-4-carbaldehyde?
The InChIKey is YFQIXXSZYGHLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9(2)15-6-5-12(7-15)16-11(4)13(8-17)10(3)14-16/h8-9,12H,5-7H2,1-4H3.
What are the key properties of 3,5-dimethyl-1-(1-propan-2-ylpyrrolidin-3-yl)pyrazole-4-carbaldehyde?
3,5-dimethyl-1-(1-propan-2-ylpyrrolidin-3-yl)pyrazole-4-carbaldehyde has a molecular weight of 235.33 g/mol, XLogP of 1.97, 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-(1-propan-2-ylpyrrolidin-3-yl)pyrazole-4-carbaldehyde is sourced from PubChem (CID 105496749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).