1-(3,5-dimethylpyrazol-1-yl)-2-naphthalen-2-yloxyethanone

C17H16N2O2 — CID 3157080

IUPAC1-(3,5-dimethylpyrazol-1-yl)-2-naphthalen-2-yloxyethanone
SMILESCc1cc(C)n(C(=O)COc2ccc3ccccc3c2)n1
InChIInChI=1S/C17H16N2O2/c1-12-9-13(2)19(18-12)17(20)11-21-16-8-7-14-5-3-4-6-15(14)10-16/h3-10H,11H2,1-2H3
InChIKeyNPYSNWFTWQCNPH-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.37
Rot. Bonds3

About 1-(3,5-dimethylpyrazol-1-yl)-2-naphthalen-2-yloxyethanone

1-(3,5-dimethylpyrazol-1-yl)-2-naphthalen-2-yloxyethanone (PubChem CID 3157080) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-(3,5-dimethylpyrazol-1-yl)-2-naphthalen-2-yloxyethanone.

Molecular Properties

Compound Name1-(3,5-dimethylpyrazol-1-yl)-2-naphthalen-2-yloxyethanone
PubChem CID3157080
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name1-(3,5-dimethylpyrazol-1-yl)-2-naphthalen-2-yloxyethanone
SMILESCc1cc(C)n(C(=O)COc2ccc3ccccc3c2)n1
InChIInChI=1S/C17H16N2O2/c1-12-9-13(2)19(18-12)17(20)11-21-16-8-7-14-5-3-4-6-15(14)10-16/h3-10H,11H2,1-2H3
InChIKeyNPYSNWFTWQCNPH-UHFFFAOYSA-N
XLogP3.37
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-dimethylpyrazol-1-yl)-2-(4-ethylphenoxy)ethanone
CID 2180897
2-(3,5-dimethylphenoxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone
CID 2140531
1-(3,5-dimethylpyrazol-1-yl)-2-(2-methoxyphenoxy)ethanone
CID 675703
ethyl 4-(2-naphthalen-2-yloxyacetyl)piperazine-1-carboxylate
CID 846270
1-(3,5-dimethylpyrazol-1-yl)-4-(3-methylphenoxy)butan-1-one
CID 94281917
N,N-diethyl-4-(2-naphthalen-2-yloxyacetyl)piperazine-1-carboxamide
CID 34222283
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-naphthalen-2-yloxyacetamide
CID 35534820
N-(1-methylpyrazol-3-yl)-2-naphthalen-2-yloxyacetamide
CID 8810740
2-naphthalen-2-yloxy-N-(2,4,6-trimethyl-3-pyridinyl)acetamide
CID 78838178
2-naphthalen-2-yloxy-1-piperazin-1-ylethanone;hydrochloride
CID 119400066
2-methoxy-N'-(2-naphthalen-2-yloxyacetyl)acetohydrazide
CID 3108616
3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-(2-naphthalen-2-yloxyethyl)pyridine-2-carboxamide
CID 112800686

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-2-naphthalen-2-yloxyethanone?
The IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-2-naphthalen-2-yloxyethanone (CID 3157080) is 1-(3,5-dimethylpyrazol-1-yl)-2-naphthalen-2-yloxyethanone.
What is the SMILES notation for 1-(3,5-dimethylpyrazol-1-yl)-2-naphthalen-2-yloxyethanone?
The canonical SMILES for 1-(3,5-dimethylpyrazol-1-yl)-2-naphthalen-2-yloxyethanone is Cc1cc(C)n(C(=O)COc2ccc3ccccc3c2)n1.
What is the InChIKey of 1-(3,5-dimethylpyrazol-1-yl)-2-naphthalen-2-yloxyethanone?
The InChIKey is NPYSNWFTWQCNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-12-9-13(2)19(18-12)17(20)11-21-16-8-7-14-5-3-4-6-15(14)10-16/h3-10H,11H2,1-2H3.
What are the key properties of 1-(3,5-dimethylpyrazol-1-yl)-2-naphthalen-2-yloxyethanone?
1-(3,5-dimethylpyrazol-1-yl)-2-naphthalen-2-yloxyethanone has a molecular weight of 280.33 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpyrazol-1-yl)-2-naphthalen-2-yloxyethanone is sourced from PubChem (CID 3157080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).