1-(5-naphthalen-1-yl-3-naphthalen-2-yl-3,4-dihydropyrazol-2-yl)ethanone

C25H20N2O — CID 53319681

IUPAC1-(5-naphthalen-1-yl-3-naphthalen-2-yl-3,4-dihydropyrazol-2-yl)ethanone
SMILESCC(=O)N1N=C(c2cccc3ccccc23)CC1c1ccc2ccccc2c1
InChIInChI=1S/C25H20N2O/c1-17(28)27-25(21-14-13-18-7-2-3-9-20(18)15-21)16-24(26-27)23-12-6-10-19-8-4-5-11-22(19)23/h2-15,25H,16H2,1H3
InChIKeyYMNGQYYCAIINOT-UHFFFAOYSA-N
MW364.45 g/mol
LogP5.69
Rot. Bonds2

About 1-(5-naphthalen-1-yl-3-naphthalen-2-yl-3,4-dihydropyrazol-2-yl)ethanone

1-(5-naphthalen-1-yl-3-naphthalen-2-yl-3,4-dihydropyrazol-2-yl)ethanone (PubChem CID 53319681) has the molecular formula C25H20N2O and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-(5-naphthalen-1-yl-3-naphthalen-2-yl-3,4-dihydropyrazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(5-naphthalen-1-yl-3-naphthalen-2-yl-3,4-dihydropyrazol-2-yl)ethanone
PubChem CID53319681
Molecular FormulaC25H20N2O
Molecular Weight364.45 g/mol
Exact Mass364.16
IUPAC Name1-(5-naphthalen-1-yl-3-naphthalen-2-yl-3,4-dihydropyrazol-2-yl)ethanone
SMILESCC(=O)N1N=C(c2cccc3ccccc23)CC1c1ccc2ccccc2c1
InChIInChI=1S/C25H20N2O/c1-17(28)27-25(21-14-13-18-7-2-3-9-20(18)15-21)16-24(26-27)23-12-6-10-19-8-4-5-11-22(19)23/h2-15,25H,16H2,1H3
InChIKeyYMNGQYYCAIINOT-UHFFFAOYSA-N
XLogP5.69
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.45
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-naphthalen-1-yl-3-naphthalen-2-yl-3,4-dihydropyrazol-2-yl)ethanone?
The IUPAC name of 1-(5-naphthalen-1-yl-3-naphthalen-2-yl-3,4-dihydropyrazol-2-yl)ethanone (CID 53319681) is 1-(5-naphthalen-1-yl-3-naphthalen-2-yl-3,4-dihydropyrazol-2-yl)ethanone.
What is the SMILES notation for 1-(5-naphthalen-1-yl-3-naphthalen-2-yl-3,4-dihydropyrazol-2-yl)ethanone?
The canonical SMILES for 1-(5-naphthalen-1-yl-3-naphthalen-2-yl-3,4-dihydropyrazol-2-yl)ethanone is CC(=O)N1N=C(c2cccc3ccccc23)CC1c1ccc2ccccc2c1.
What is the InChIKey of 1-(5-naphthalen-1-yl-3-naphthalen-2-yl-3,4-dihydropyrazol-2-yl)ethanone?
The InChIKey is YMNGQYYCAIINOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O/c1-17(28)27-25(21-14-13-18-7-2-3-9-20(18)15-21)16-24(26-27)23-12-6-10-19-8-4-5-11-22(19)23/h2-15,25H,16H2,1H3.
What are the key properties of 1-(5-naphthalen-1-yl-3-naphthalen-2-yl-3,4-dihydropyrazol-2-yl)ethanone?
1-(5-naphthalen-1-yl-3-naphthalen-2-yl-3,4-dihydropyrazol-2-yl)ethanone has a molecular weight of 364.45 g/mol, XLogP of 5.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-naphthalen-1-yl-3-naphthalen-2-yl-3,4-dihydropyrazol-2-yl)ethanone is sourced from PubChem (CID 53319681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).