2-(2,5-dimethylpyrazol-3-yl)-3,4-dihydro-2H-naphthalen-1-one

C15H16N2O — CID 155310620

IUPAC2-(2,5-dimethylpyrazol-3-yl)-3,4-dihydro-2H-naphthalen-1-one
SMILESCc1cc(C2CCc3ccccc3C2=O)n(C)n1
InChIInChI=1S/C15H16N2O/c1-10-9-14(17(2)16-10)13-8-7-11-5-3-4-6-12(11)15(13)18/h3-6,9,13H,7-8H2,1-2H3
InChIKeyADWDXKQAMJXWMS-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.64
Rot. Bonds1

About 2-(2,5-dimethylpyrazol-3-yl)-3,4-dihydro-2H-naphthalen-1-one

2-(2,5-dimethylpyrazol-3-yl)-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 155310620) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrazol-3-yl)-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name2-(2,5-dimethylpyrazol-3-yl)-3,4-dihydro-2H-naphthalen-1-one
PubChem CID155310620
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name2-(2,5-dimethylpyrazol-3-yl)-3,4-dihydro-2H-naphthalen-1-one
SMILESCc1cc(C2CCc3ccccc3C2=O)n(C)n1
InChIInChI=1S/C15H16N2O/c1-10-9-14(17(2)16-10)13-8-7-11-5-3-4-6-12(11)15(13)18/h3-6,9,13H,7-8H2,1-2H3
InChIKeyADWDXKQAMJXWMS-UHFFFAOYSA-N
XLogP2.64
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-naphthalen-2-yl-3,4-dihydro-2H-naphthalen-1-one
CID 90280813
2-(2-methyl-1,3-benzothiazol-5-yl)-3,4-dihydro-2H-naphthalen-1-one
CID 90280981
(2S)-2-(2-chlorophenyl)-3,4-dihydro-2H-naphthalen-1-one
CID 129404838
(2S)-2-(2-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-one
CID 125478212
6-deuterio-6-methyl-8,9-dihydro-7H-benzo[7]annulen-5-one
CID 11105878
2-(9-ethylpurin-6-yl)-3,4-dihydro-2H-naphthalen-1-one
CID 86117591
2-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-7-yl)isoindole-1,3-dione
CID 162782736
2-(4-methyl-3-phenylpyrazol-1-yl)-3,4-dihydro-2H-naphthalen-1-one
CID 166437666
(2R)-1-oxo-3,4-dihydro-2H-naphthalene-2-carbaldehyde
CID 98051177
4-methyl-1,3-dihydroimidazole-2-thione;2-methyl-3,4-dihydro-2H-naphthalen-1-one
CID 143559282
2-(2-oxocyclobutyl)-3,4-dihydro-2H-naphthalen-1-one
CID 13419689
2-[(1S)-1-hydroxyethyl]-3,4-dihydro-2H-naphthalen-1-one
CID 100977502

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)-3,4-dihydro-2H-naphthalen-1-one (CID 155310620) is 2-(2,5-dimethylpyrazol-3-yl)-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 2-(2,5-dimethylpyrazol-3-yl)-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 2-(2,5-dimethylpyrazol-3-yl)-3,4-dihydro-2H-naphthalen-1-one is Cc1cc(C2CCc3ccccc3C2=O)n(C)n1.
What is the InChIKey of 2-(2,5-dimethylpyrazol-3-yl)-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is ADWDXKQAMJXWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-10-9-14(17(2)16-10)13-8-7-11-5-3-4-6-12(11)15(13)18/h3-6,9,13H,7-8H2,1-2H3.
What are the key properties of 2-(2,5-dimethylpyrazol-3-yl)-3,4-dihydro-2H-naphthalen-1-one?
2-(2,5-dimethylpyrazol-3-yl)-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 240.31 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrazol-3-yl)-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 155310620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).