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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Related Compounds

3-methoxy-2,2,4,4-tetramethyl-5-phenylpyrrolidine
CID 12707374
(4S,5S)-2-methoxy-2-methyl-4,5-diphenyl-1,3-dioxolane
CID 14972315
(4R)-3,3-dimethyl-4-phenylazetidin-2-one
CID 7034516
(2S,6S)-3,3,6-trimethyl-2-phenylpiperidine
CID 138970706
4-methoxy-3,3-dimethyl-2-phenyl-2,4-dihydro-1H-quinoline
CID 12982738
(6S)-5,5-dimethyl-6-phenylpiperidin-2-one
CID 138970238
(2-fluoro-2-methoxycyclopropyl)benzene
CID 174280864
3,3-dimethyl-6-phenylcyclohexa-1,4-diene
CID 22450605
(3S,4R)-3-methoxy-3-methyl-4-phenyloxetan-2-one
CID 10058396
3-methyl-2,3-diphenylpyrrolidine
CID 62722920
3,6-diphenyl-1,2,3,3a,4,5,6,6a-octahydropyrazolo[4,3-c]pyrazole
CID 45036955
2,2-dimethoxy-5,5-dimethyl-6-phenylcyclohex-3-ene-1,1-diol
CID 121360807

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).