5-methyl-2-(2-naphthalen-2-yloxyethyl)-1H-pyrazol-3-one

C16H16N2O2 — CID 22769190

IUPAC5-methyl-2-(2-naphthalen-2-yloxyethyl)-1H-pyrazol-3-one
SMILESCc1cc(=O)n(CCOc2ccc3ccccc3c2)[nH]1
InChIInChI=1S/C16H16N2O2/c1-12-10-16(19)18(17-12)8-9-20-15-7-6-13-4-2-3-5-14(13)11-15/h2-7,10-11,17H,8-9H2,1H3
InChIKeyINCLABAHEPQBCG-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.72
Rot. Bonds4

About 5-methyl-2-(2-naphthalen-2-yloxyethyl)-1H-pyrazol-3-one

5-methyl-2-(2-naphthalen-2-yloxyethyl)-1H-pyrazol-3-one (PubChem CID 22769190) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 5-methyl-2-(2-naphthalen-2-yloxyethyl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-methyl-2-(2-naphthalen-2-yloxyethyl)-1H-pyrazol-3-one
PubChem CID22769190
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name5-methyl-2-(2-naphthalen-2-yloxyethyl)-1H-pyrazol-3-one
SMILESCc1cc(=O)n(CCOc2ccc3ccccc3c2)[nH]1
InChIInChI=1S/C16H16N2O2/c1-12-10-16(19)18(17-12)8-9-20-15-7-6-13-4-2-3-5-14(13)11-15/h2-7,10-11,17H,8-9H2,1H3
InChIKeyINCLABAHEPQBCG-UHFFFAOYSA-N
XLogP2.72
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(2-naphthalen-2-yloxyethyl)-1H-pyrazol-3-one?
The IUPAC name of 5-methyl-2-(2-naphthalen-2-yloxyethyl)-1H-pyrazol-3-one (CID 22769190) is 5-methyl-2-(2-naphthalen-2-yloxyethyl)-1H-pyrazol-3-one.
What is the SMILES notation for 5-methyl-2-(2-naphthalen-2-yloxyethyl)-1H-pyrazol-3-one?
The canonical SMILES for 5-methyl-2-(2-naphthalen-2-yloxyethyl)-1H-pyrazol-3-one is Cc1cc(=O)n(CCOc2ccc3ccccc3c2)[nH]1.
What is the InChIKey of 5-methyl-2-(2-naphthalen-2-yloxyethyl)-1H-pyrazol-3-one?
The InChIKey is INCLABAHEPQBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-12-10-16(19)18(17-12)8-9-20-15-7-6-13-4-2-3-5-14(13)11-15/h2-7,10-11,17H,8-9H2,1H3.
What are the key properties of 5-methyl-2-(2-naphthalen-2-yloxyethyl)-1H-pyrazol-3-one?
5-methyl-2-(2-naphthalen-2-yloxyethyl)-1H-pyrazol-3-one has a molecular weight of 268.32 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(2-naphthalen-2-yloxyethyl)-1H-pyrazol-3-one is sourced from PubChem (CID 22769190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).