2-(6-bromonaphthalen-2-yl)-1-(2-methylpyrazol-3-yl)ethanone

C16H13BrN2O — CID 140966460

IUPAC2-(6-bromonaphthalen-2-yl)-1-(2-methylpyrazol-3-yl)ethanone
SMILESCn1nccc1C(=O)Cc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C16H13BrN2O/c1-19-15(6-7-18-19)16(20)9-11-2-3-13-10-14(17)5-4-12(13)8-11/h2-8,10H,9H2,1H3
InChIKeyWFWZFWXCZVTZOX-UHFFFAOYSA-N
MW329.20 g/mol
LogP3.76
Rot. Bonds3

About 2-(6-bromonaphthalen-2-yl)-1-(2-methylpyrazol-3-yl)ethanone

2-(6-bromonaphthalen-2-yl)-1-(2-methylpyrazol-3-yl)ethanone (PubChem CID 140966460) has the molecular formula C16H13BrN2O and a molecular weight of 329.20 g/mol. Its IUPAC name is 2-(6-bromonaphthalen-2-yl)-1-(2-methylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name2-(6-bromonaphthalen-2-yl)-1-(2-methylpyrazol-3-yl)ethanone
PubChem CID140966460
Molecular FormulaC16H13BrN2O
Molecular Weight329.20 g/mol
Exact Mass328.02
IUPAC Name2-(6-bromonaphthalen-2-yl)-1-(2-methylpyrazol-3-yl)ethanone
SMILESCn1nccc1C(=O)Cc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C16H13BrN2O/c1-19-15(6-7-18-19)16(20)9-11-2-3-13-10-14(17)5-4-12(13)8-11/h2-8,10H,9H2,1H3
InChIKeyWFWZFWXCZVTZOX-UHFFFAOYSA-N
XLogP3.76
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.20
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-bromonaphthalen-2-yl)-1-(2-methylpyrazol-3-yl)ethanone?
The IUPAC name of 2-(6-bromonaphthalen-2-yl)-1-(2-methylpyrazol-3-yl)ethanone (CID 140966460) is 2-(6-bromonaphthalen-2-yl)-1-(2-methylpyrazol-3-yl)ethanone.
What is the SMILES notation for 2-(6-bromonaphthalen-2-yl)-1-(2-methylpyrazol-3-yl)ethanone?
The canonical SMILES for 2-(6-bromonaphthalen-2-yl)-1-(2-methylpyrazol-3-yl)ethanone is Cn1nccc1C(=O)Cc1ccc2cc(Br)ccc2c1.
What is the InChIKey of 2-(6-bromonaphthalen-2-yl)-1-(2-methylpyrazol-3-yl)ethanone?
The InChIKey is WFWZFWXCZVTZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O/c1-19-15(6-7-18-19)16(20)9-11-2-3-13-10-14(17)5-4-12(13)8-11/h2-8,10H,9H2,1H3.
What are the key properties of 2-(6-bromonaphthalen-2-yl)-1-(2-methylpyrazol-3-yl)ethanone?
2-(6-bromonaphthalen-2-yl)-1-(2-methylpyrazol-3-yl)ethanone has a molecular weight of 329.20 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromonaphthalen-2-yl)-1-(2-methylpyrazol-3-yl)ethanone is sourced from PubChem (CID 140966460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).