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

C13H21N3O — CID 43122025

IUPAC5-(3,5-dimethylpiperidin-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde
SMILESCc1nn(C)c(N2CC(C)CC(C)C2)c1C=O
InChIInChI=1S/C13H21N3O/c1-9-5-10(2)7-16(6-9)13-12(8-17)11(3)14-15(13)4/h8-10H,5-7H2,1-4H3
InChIKeyYGDRUXYEOWARRL-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.02
Rot. Bonds2

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

5-(3,5-dimethylpiperidin-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde (PubChem CID 43122025) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 5-(3,5-dimethylpiperidin-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name5-(3,5-dimethylpiperidin-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde
PubChem CID43122025
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name5-(3,5-dimethylpiperidin-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde
SMILESCc1nn(C)c(N2CC(C)CC(C)C2)c1C=O
InChIInChI=1S/C13H21N3O/c1-9-5-10(2)7-16(6-9)13-12(8-17)11(3)14-15(13)4/h8-10H,5-7H2,1-4H3
InChIKeyYGDRUXYEOWARRL-UHFFFAOYSA-N
XLogP2.02
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethylpiperidin-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde?
The IUPAC name of 5-(3,5-dimethylpiperidin-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde (CID 43122025) is 5-(3,5-dimethylpiperidin-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde.
What is the SMILES notation for 5-(3,5-dimethylpiperidin-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde?
The canonical SMILES for 5-(3,5-dimethylpiperidin-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde is Cc1nn(C)c(N2CC(C)CC(C)C2)c1C=O.
What is the InChIKey of 5-(3,5-dimethylpiperidin-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde?
The InChIKey is YGDRUXYEOWARRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9-5-10(2)7-16(6-9)13-12(8-17)11(3)14-15(13)4/h8-10H,5-7H2,1-4H3.
What are the key properties of 5-(3,5-dimethylpiperidin-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde?
5-(3,5-dimethylpiperidin-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde has a molecular weight of 235.33 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethylpiperidin-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde is sourced from PubChem (CID 43122025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).