4,4-dimethoxy-3,5-diphenylpyrazolidine

C17H20N2O2 — CID 90770156

IUPAC4,4-dimethoxy-3,5-diphenylpyrazolidine
SMILESCOC1(OC)C(c2ccccc2)NNC1c1ccccc1
InChIInChI=1S/C17H20N2O2/c1-20-17(21-2)15(13-9-5-3-6-10-13)18-19-16(17)14-11-7-4-8-12-14/h3-12,15-16,18-19H,1-2H3
InChIKeyKZGKMEACFFKAKA-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.57
Rot. Bonds4

About 4,4-dimethoxy-3,5-diphenylpyrazolidine

4,4-dimethoxy-3,5-diphenylpyrazolidine (PubChem CID 90770156) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4,4-dimethoxy-3,5-diphenylpyrazolidine.

Molecular Properties

Compound Name4,4-dimethoxy-3,5-diphenylpyrazolidine
PubChem CID90770156
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name4,4-dimethoxy-3,5-diphenylpyrazolidine
SMILESCOC1(OC)C(c2ccccc2)NNC1c1ccccc1
InChIInChI=1S/C17H20N2O2/c1-20-17(21-2)15(13-9-5-3-6-10-13)18-19-16(17)14-11-7-4-8-12-14/h3-12,15-16,18-19H,1-2H3
InChIKeyKZGKMEACFFKAKA-UHFFFAOYSA-N
XLogP2.57
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethoxy-3,5-diphenylpyrazolidine?
The IUPAC name of 4,4-dimethoxy-3,5-diphenylpyrazolidine (CID 90770156) is 4,4-dimethoxy-3,5-diphenylpyrazolidine.
What is the SMILES notation for 4,4-dimethoxy-3,5-diphenylpyrazolidine?
The canonical SMILES for 4,4-dimethoxy-3,5-diphenylpyrazolidine is COC1(OC)C(c2ccccc2)NNC1c1ccccc1.
What is the InChIKey of 4,4-dimethoxy-3,5-diphenylpyrazolidine?
The InChIKey is KZGKMEACFFKAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-20-17(21-2)15(13-9-5-3-6-10-13)18-19-16(17)14-11-7-4-8-12-14/h3-12,15-16,18-19H,1-2H3.
What are the key properties of 4,4-dimethoxy-3,5-diphenylpyrazolidine?
4,4-dimethoxy-3,5-diphenylpyrazolidine has a molecular weight of 284.36 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethoxy-3,5-diphenylpyrazolidine is sourced from PubChem (CID 90770156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).