1-[1-[(1-methylpyrazol-3-yl)methoxy]naphthalen-2-yl]ethanone

C17H16N2O2 — CID 82866723

IUPAC1-[1-[(1-methylpyrazol-3-yl)methoxy]naphthalen-2-yl]ethanone
SMILESCC(=O)c1ccc2ccccc2c1OCc1ccn(C)n1
InChIInChI=1S/C17H16N2O2/c1-12(20)15-8-7-13-5-3-4-6-16(13)17(15)21-11-14-9-10-19(2)18-14/h3-10H,11H2,1-2H3
InChIKeyHQRRPWPBADANPY-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.35
Rot. Bonds4

About 1-[1-[(1-methylpyrazol-3-yl)methoxy]naphthalen-2-yl]ethanone

1-[1-[(1-methylpyrazol-3-yl)methoxy]naphthalen-2-yl]ethanone (PubChem CID 82866723) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-[1-[(1-methylpyrazol-3-yl)methoxy]naphthalen-2-yl]ethanone.

Molecular Properties

Compound Name1-[1-[(1-methylpyrazol-3-yl)methoxy]naphthalen-2-yl]ethanone
PubChem CID82866723
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name1-[1-[(1-methylpyrazol-3-yl)methoxy]naphthalen-2-yl]ethanone
SMILESCC(=O)c1ccc2ccccc2c1OCc1ccn(C)n1
InChIInChI=1S/C17H16N2O2/c1-12(20)15-8-7-13-5-3-4-6-16(13)17(15)21-11-14-9-10-19(2)18-14/h3-10H,11H2,1-2H3
InChIKeyHQRRPWPBADANPY-UHFFFAOYSA-N
XLogP3.35
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1-methylpyrazol-3-yl)methoxy]naphthalen-2-yl]ethanone?
The IUPAC name of 1-[1-[(1-methylpyrazol-3-yl)methoxy]naphthalen-2-yl]ethanone (CID 82866723) is 1-[1-[(1-methylpyrazol-3-yl)methoxy]naphthalen-2-yl]ethanone.
What is the SMILES notation for 1-[1-[(1-methylpyrazol-3-yl)methoxy]naphthalen-2-yl]ethanone?
The canonical SMILES for 1-[1-[(1-methylpyrazol-3-yl)methoxy]naphthalen-2-yl]ethanone is CC(=O)c1ccc2ccccc2c1OCc1ccn(C)n1.
What is the InChIKey of 1-[1-[(1-methylpyrazol-3-yl)methoxy]naphthalen-2-yl]ethanone?
The InChIKey is HQRRPWPBADANPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-12(20)15-8-7-13-5-3-4-6-16(13)17(15)21-11-14-9-10-19(2)18-14/h3-10H,11H2,1-2H3.
What are the key properties of 1-[1-[(1-methylpyrazol-3-yl)methoxy]naphthalen-2-yl]ethanone?
1-[1-[(1-methylpyrazol-3-yl)methoxy]naphthalen-2-yl]ethanone has a molecular weight of 280.33 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(1-methylpyrazol-3-yl)methoxy]naphthalen-2-yl]ethanone is sourced from PubChem (CID 82866723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).