1-(3,5-diphenylpyrazolidin-1-yl)ethanone

C17H18N2O — CID 3126002

IUPAC1-(3,5-diphenylpyrazolidin-1-yl)ethanone
SMILESCC(=O)N1NC(c2ccccc2)CC1c1ccccc1
InChIInChI=1S/C17H18N2O/c1-13(20)19-17(15-10-6-3-7-11-15)12-16(18-19)14-8-4-2-5-9-14/h2-11,16-18H,12H2,1H3
InChIKeyVPHCFSLKUFAMIT-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.23
Rot. Bonds2

About 1-(3,5-diphenylpyrazolidin-1-yl)ethanone

1-(3,5-diphenylpyrazolidin-1-yl)ethanone (PubChem CID 3126002) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-(3,5-diphenylpyrazolidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(3,5-diphenylpyrazolidin-1-yl)ethanone
PubChem CID3126002
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name1-(3,5-diphenylpyrazolidin-1-yl)ethanone
SMILESCC(=O)N1NC(c2ccccc2)CC1c1ccccc1
InChIInChI=1S/C17H18N2O/c1-13(20)19-17(15-10-6-3-7-11-15)12-16(18-19)14-8-4-2-5-9-14/h2-11,16-18H,12H2,1H3
InChIKeyVPHCFSLKUFAMIT-UHFFFAOYSA-N
XLogP3.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,5R)-1,3,5-triphenylpyrazolidine
CID 51417824
1,3,5-triphenylpyrazolidine
CID 5216868
acetic acid;2,5-diphenylpiperazine
CID 157254746
2-phenyl-2,3,3a,5-tetrahydro-1H-pyrazolo[1,5-d][1,2,4]triazin-4-one
CID 71651753
1-[4-(5-phenylpyrazolidine-3-carbonyl)piperazin-1-yl]ethanone
CID 52987096
2-[(2S,5R)-4-acetyl-5-methyl-2-phenylpiperazin-1-yl]-2-oxoacetamide
CID 169115456
[(3R,5S)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl] acetate
CID 15693090
[(3R,5R)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl] acetate
CID 15693091
(2S,6S)-1-acetyl-3,3-dimethyl-2,6-diphenylpiperidin-4-one
CID 139076949
1-(4,5-dimethyl-2-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 71394500
1-(4-methylsulfonyl-2-phenylpiperazin-1-yl)ethanone
CID 127244769
1-(2-methyl-4-phenylpyrrolidin-1-yl)ethanone
CID 15365754

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-diphenylpyrazolidin-1-yl)ethanone?
The IUPAC name of 1-(3,5-diphenylpyrazolidin-1-yl)ethanone (CID 3126002) is 1-(3,5-diphenylpyrazolidin-1-yl)ethanone.
What is the SMILES notation for 1-(3,5-diphenylpyrazolidin-1-yl)ethanone?
The canonical SMILES for 1-(3,5-diphenylpyrazolidin-1-yl)ethanone is CC(=O)N1NC(c2ccccc2)CC1c1ccccc1.
What is the InChIKey of 1-(3,5-diphenylpyrazolidin-1-yl)ethanone?
The InChIKey is VPHCFSLKUFAMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-13(20)19-17(15-10-6-3-7-11-15)12-16(18-19)14-8-4-2-5-9-14/h2-11,16-18H,12H2,1H3.
What are the key properties of 1-(3,5-diphenylpyrazolidin-1-yl)ethanone?
1-(3,5-diphenylpyrazolidin-1-yl)ethanone has a molecular weight of 266.34 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-diphenylpyrazolidin-1-yl)ethanone is sourced from PubChem (CID 3126002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).