3,5-diphenylpyrazolidine-4-carbaldehyde

C16H16N2O — CID 73196349

IUPAC3,5-diphenylpyrazolidine-4-carbaldehyde
SMILESO=CC1C(c2ccccc2)NNC1c1ccccc1
InChIInChI=1S/C16H16N2O/c19-11-14-15(12-7-3-1-4-8-12)17-18-16(14)13-9-5-2-6-10-13/h1-11,14-18H
InChIKeyZGJNIIIZSVIWSC-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.39
Rot. Bonds3

About 3,5-diphenylpyrazolidine-4-carbaldehyde

3,5-diphenylpyrazolidine-4-carbaldehyde (PubChem CID 73196349) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 3,5-diphenylpyrazolidine-4-carbaldehyde.

Molecular Properties

Compound Name3,5-diphenylpyrazolidine-4-carbaldehyde
PubChem CID73196349
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name3,5-diphenylpyrazolidine-4-carbaldehyde
SMILESO=CC1C(c2ccccc2)NNC1c1ccccc1
InChIInChI=1S/C16H16N2O/c19-11-14-15(12-7-3-1-4-8-12)17-18-16(14)13-9-5-2-6-10-13/h1-11,14-18H
InChIKeyZGJNIIIZSVIWSC-UHFFFAOYSA-N
XLogP2.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,5-diphenylpyrazolidine-4-carbaldehyde?
The IUPAC name of 3,5-diphenylpyrazolidine-4-carbaldehyde (CID 73196349) is 3,5-diphenylpyrazolidine-4-carbaldehyde.
What is the SMILES notation for 3,5-diphenylpyrazolidine-4-carbaldehyde?
The canonical SMILES for 3,5-diphenylpyrazolidine-4-carbaldehyde is O=CC1C(c2ccccc2)NNC1c1ccccc1.
What is the InChIKey of 3,5-diphenylpyrazolidine-4-carbaldehyde?
The InChIKey is ZGJNIIIZSVIWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c19-11-14-15(12-7-3-1-4-8-12)17-18-16(14)13-9-5-2-6-10-13/h1-11,14-18H.
What are the key properties of 3,5-diphenylpyrazolidine-4-carbaldehyde?
3,5-diphenylpyrazolidine-4-carbaldehyde has a molecular weight of 252.32 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diphenylpyrazolidine-4-carbaldehyde is sourced from PubChem (CID 73196349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).