1-(5-naphthalen-1-ylpyrazolidin-1-yl)ethanone

C15H16N2O — CID 175723534

IUPAC1-(5-naphthalen-1-ylpyrazolidin-1-yl)ethanone
SMILESCC(=O)N1NCCC1c1cccc2ccccc12
InChIInChI=1S/C15H16N2O/c1-11(18)17-15(9-10-16-17)14-8-4-6-12-5-2-3-7-13(12)14/h2-8,15-16H,9-10H2,1H3
InChIKeySUGMTKZRJJAXJP-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.64
Rot. Bonds1

About 1-(5-naphthalen-1-ylpyrazolidin-1-yl)ethanone

1-(5-naphthalen-1-ylpyrazolidin-1-yl)ethanone (PubChem CID 175723534) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 1-(5-naphthalen-1-ylpyrazolidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(5-naphthalen-1-ylpyrazolidin-1-yl)ethanone
PubChem CID175723534
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name1-(5-naphthalen-1-ylpyrazolidin-1-yl)ethanone
SMILESCC(=O)N1NCCC1c1cccc2ccccc12
InChIInChI=1S/C15H16N2O/c1-11(18)17-15(9-10-16-17)14-8-4-6-12-5-2-3-7-13(12)14/h2-8,15-16H,9-10H2,1H3
InChIKeySUGMTKZRJJAXJP-UHFFFAOYSA-N
XLogP2.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 11492902
(R)-N-(naphthalen-2-ylmethyl)-N-(pyrrolidin-3-yl)propionamide
CID 11543737
(R)-N-(naphthalen-2-ylmethyl)-N-(pyrrolidin-3-yl)acetamide
CID 11572546
N-Biphenyl-2-ylmethyl-N-(S)-pyrrolidin-3-yl-acetamide
CID 44578369
Acetamide, N-[1-(1-naphthalenyl)ethyl]-
CID 593735
Acetamide, N-(1-naphthalenylmethyl)-
CID 88016
Acetamide, N-[(1S)-1-(1-naphthalenyl)ethyl]-
CID 852722
Acetamide, N-[(1R)-1-(1-naphthalenyl)ethyl]-
CID 852723
5,5-Dimethyl-1-(2,2,2-trifluoro-1-naphthalen-2-ylethyl)pyrazolidin-3-one
CID 135055726
N-(1-(naphthalen-2-yl)ethyl)acetamide
CID 357122
N-[(1S)-1-naphthalen-2-ylethyl]acetamide
CID 11458537
1-Acetyl-3,5-diphenylpyrazolidine
CID 3126002

Frequently Asked Questions

What is the IUPAC name of 1-(5-naphthalen-1-ylpyrazolidin-1-yl)ethanone?
The IUPAC name of 1-(5-naphthalen-1-ylpyrazolidin-1-yl)ethanone (CID 175723534) is 1-(5-naphthalen-1-ylpyrazolidin-1-yl)ethanone.
What is the SMILES notation for 1-(5-naphthalen-1-ylpyrazolidin-1-yl)ethanone?
The canonical SMILES for 1-(5-naphthalen-1-ylpyrazolidin-1-yl)ethanone is CC(=O)N1NCCC1c1cccc2ccccc12.
What is the InChIKey of 1-(5-naphthalen-1-ylpyrazolidin-1-yl)ethanone?
The InChIKey is SUGMTKZRJJAXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-11(18)17-15(9-10-16-17)14-8-4-6-12-5-2-3-7-13(12)14/h2-8,15-16H,9-10H2,1H3.
What are the key properties of 1-(5-naphthalen-1-ylpyrazolidin-1-yl)ethanone?
1-(5-naphthalen-1-ylpyrazolidin-1-yl)ethanone has a molecular weight of 240.31 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-naphthalen-1-ylpyrazolidin-1-yl)ethanone is sourced from PubChem (CID 175723534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).