2-[2-(6-methoxynaphthalen-2-yl)propanoyl]-5-methyl-1H-pyrazol-3-one

C18H18N2O3 — CID 11045119

IUPAC2-[2-(6-methoxynaphthalen-2-yl)propanoyl]-5-methyl-1H-pyrazol-3-one
SMILESCOc1ccc2cc(C(C)C(=O)n3[nH]c(C)cc3=O)ccc2c1
InChIInChI=1S/C18H18N2O3/c1-11-8-17(21)20(19-11)18(22)12(2)13-4-5-15-10-16(23-3)7-6-14(15)9-13/h4-10,12,19H,1-3H3
InChIKeyZMKHBWFCQOTZHD-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.09
Rot. Bonds3

About 2-[2-(6-methoxynaphthalen-2-yl)propanoyl]-5-methyl-1H-pyrazol-3-one

2-[2-(6-methoxynaphthalen-2-yl)propanoyl]-5-methyl-1H-pyrazol-3-one (PubChem CID 11045119) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-[2-(6-methoxynaphthalen-2-yl)propanoyl]-5-methyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-[2-(6-methoxynaphthalen-2-yl)propanoyl]-5-methyl-1H-pyrazol-3-one
PubChem CID11045119
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name2-[2-(6-methoxynaphthalen-2-yl)propanoyl]-5-methyl-1H-pyrazol-3-one
SMILESCOc1ccc2cc(C(C)C(=O)n3[nH]c(C)cc3=O)ccc2c1
InChIInChI=1S/C18H18N2O3/c1-11-8-17(21)20(19-11)18(22)12(2)13-4-5-15-10-16(23-3)7-6-14(15)9-13/h4-10,12,19H,1-3H3
InChIKeyZMKHBWFCQOTZHD-UHFFFAOYSA-N
XLogP3.09
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(6-methoxynaphthalen-2-yl)butan-2-one
CID 13292512
magnesium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 174047871
potassium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 174215246
(2R)-2-(7-methoxynaphthalen-2-yl)propanoic acid
CID 93477602
sodium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 173070735
1-hydroxypyrrolidine-2,5-dione;(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 131744188
(2S)-N-hydroxy-2-(6-methoxynaphthalen-2-yl)propanamide
CID 92850098
chloro (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 90693422
bis((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid);piperazine
CID 76968825
(2S)-2-(6-methoxynaphthalen-2-yl)-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]propan-1-one
CID 18292919
1-(2,3-dimethylpiperazin-1-yl)-2-(6-methoxynaphthalen-2-yl)propan-1-one
CID 120571671
1-(4-aminopiperidin-1-yl)-2-(6-methoxynaphthalen-2-yl)propan-1-one;hydrochloride
CID 119373948

Frequently Asked Questions

What is the IUPAC name of 2-[2-(6-methoxynaphthalen-2-yl)propanoyl]-5-methyl-1H-pyrazol-3-one?
The IUPAC name of 2-[2-(6-methoxynaphthalen-2-yl)propanoyl]-5-methyl-1H-pyrazol-3-one (CID 11045119) is 2-[2-(6-methoxynaphthalen-2-yl)propanoyl]-5-methyl-1H-pyrazol-3-one.
What is the SMILES notation for 2-[2-(6-methoxynaphthalen-2-yl)propanoyl]-5-methyl-1H-pyrazol-3-one?
The canonical SMILES for 2-[2-(6-methoxynaphthalen-2-yl)propanoyl]-5-methyl-1H-pyrazol-3-one is COc1ccc2cc(C(C)C(=O)n3[nH]c(C)cc3=O)ccc2c1.
What is the InChIKey of 2-[2-(6-methoxynaphthalen-2-yl)propanoyl]-5-methyl-1H-pyrazol-3-one?
The InChIKey is ZMKHBWFCQOTZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-11-8-17(21)20(19-11)18(22)12(2)13-4-5-15-10-16(23-3)7-6-14(15)9-13/h4-10,12,19H,1-3H3.
What are the key properties of 2-[2-(6-methoxynaphthalen-2-yl)propanoyl]-5-methyl-1H-pyrazol-3-one?
2-[2-(6-methoxynaphthalen-2-yl)propanoyl]-5-methyl-1H-pyrazol-3-one has a molecular weight of 310.35 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-methoxynaphthalen-2-yl)propanoyl]-5-methyl-1H-pyrazol-3-one is sourced from PubChem (CID 11045119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).