2-(4,5-dimethyl-3-pyrrolidin-1-ylpyrazol-1-yl)acetaldehyde

C11H17N3O — CID 89032538

IUPAC2-(4,5-dimethyl-3-pyrrolidin-1-ylpyrazol-1-yl)acetaldehyde
SMILESCc1c(N2CCCC2)nn(CC=O)c1C
InChIInChI=1S/C11H17N3O/c1-9-10(2)14(7-8-15)12-11(9)13-5-3-4-6-13/h8H,3-7H2,1-2H3
InChIKeyKSENZXFOZSKFOM-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.30
Rot. Bonds3

About 2-(4,5-dimethyl-3-pyrrolidin-1-ylpyrazol-1-yl)acetaldehyde

2-(4,5-dimethyl-3-pyrrolidin-1-ylpyrazol-1-yl)acetaldehyde (PubChem CID 89032538) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-(4,5-dimethyl-3-pyrrolidin-1-ylpyrazol-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-(4,5-dimethyl-3-pyrrolidin-1-ylpyrazol-1-yl)acetaldehyde
PubChem CID89032538
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-(4,5-dimethyl-3-pyrrolidin-1-ylpyrazol-1-yl)acetaldehyde
SMILESCc1c(N2CCCC2)nn(CC=O)c1C
InChIInChI=1S/C11H17N3O/c1-9-10(2)14(7-8-15)12-11(9)13-5-3-4-6-13/h8H,3-7H2,1-2H3
InChIKeyKSENZXFOZSKFOM-UHFFFAOYSA-N
XLogP1.30
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.30
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 2-(4,5-dimethyl-3-pyrrolidin-1-ylpyrazol-1-yl)acetaldehyde?
The IUPAC name of 2-(4,5-dimethyl-3-pyrrolidin-1-ylpyrazol-1-yl)acetaldehyde (CID 89032538) is 2-(4,5-dimethyl-3-pyrrolidin-1-ylpyrazol-1-yl)acetaldehyde.
What is the SMILES notation for 2-(4,5-dimethyl-3-pyrrolidin-1-ylpyrazol-1-yl)acetaldehyde?
The canonical SMILES for 2-(4,5-dimethyl-3-pyrrolidin-1-ylpyrazol-1-yl)acetaldehyde is Cc1c(N2CCCC2)nn(CC=O)c1C.
What is the InChIKey of 2-(4,5-dimethyl-3-pyrrolidin-1-ylpyrazol-1-yl)acetaldehyde?
The InChIKey is KSENZXFOZSKFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-9-10(2)14(7-8-15)12-11(9)13-5-3-4-6-13/h8H,3-7H2,1-2H3.
What are the key properties of 2-(4,5-dimethyl-3-pyrrolidin-1-ylpyrazol-1-yl)acetaldehyde?
2-(4,5-dimethyl-3-pyrrolidin-1-ylpyrazol-1-yl)acetaldehyde has a molecular weight of 207.28 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-3-pyrrolidin-1-ylpyrazol-1-yl)acetaldehyde is sourced from PubChem (CID 89032538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).