2-[5-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydropyridin-6-yl]-1-naphthalen-2-ylethanone

C21H19N3O — CID 90918406

IUPAC2-[5-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydropyridin-6-yl]-1-naphthalen-2-ylethanone
SMILESCc1cc(C2=C(CC(=O)c3ccc4ccccc4c3)N=CCC2)n[nH]1
InChIInChI=1S/C21H19N3O/c1-14-11-20(24-23-14)18-7-4-10-22-19(18)13-21(25)17-9-8-15-5-2-3-6-16(15)12-17/h2-3,5-6,8-12H,4,7,13H2,1H3,(H,23,24)
InChIKeyHPUCNEBYGDSMDB-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.72
Rot. Bonds4

About 2-[5-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydropyridin-6-yl]-1-naphthalen-2-ylethanone

2-[5-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydropyridin-6-yl]-1-naphthalen-2-ylethanone (PubChem CID 90918406) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-[5-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydropyridin-6-yl]-1-naphthalen-2-ylethanone.

Molecular Properties

Compound Name2-[5-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydropyridin-6-yl]-1-naphthalen-2-ylethanone
PubChem CID90918406
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name2-[5-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydropyridin-6-yl]-1-naphthalen-2-ylethanone
SMILESCc1cc(C2=C(CC(=O)c3ccc4ccccc4c3)N=CCC2)n[nH]1
InChIInChI=1S/C21H19N3O/c1-14-11-20(24-23-14)18-7-4-10-22-19(18)13-21(25)17-9-8-15-5-2-3-6-16(15)12-17/h2-3,5-6,8-12H,4,7,13H2,1H3,(H,23,24)
InChIKeyHPUCNEBYGDSMDB-UHFFFAOYSA-N
XLogP4.72
TPSA58.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(5-methyl-1H-pyrazol-3-yl)pyridin-1-ium-1-yl]-1-naphthalen-2-ylethanone bromide
CID 21104718
2-(4-methyl-1,3-thiazol-2-yl)-1-naphthalen-2-ylethanone
CID 60976974
1,4-dinaphthalen-2-ylbutane-1,4-dione
CID 593323
1-naphthalen-2-yl-2-(2-phenylquinolin-4-yl)ethanone
CID 135034335
triethyl-(2-naphthalen-2-yl-2-oxoethyl)azanium
CID 130452133
2-tert-butylsulfanyl-1-naphthalen-2-ylethanone
CID 60645601
3-(2-methylphenyl)-1-naphthalen-2-ylpropan-1-one
CID 105094898
1-naphthalen-2-yl-2-(2-phenylcyclohexen-1-yl)ethanone
CID 132573010
2-(3,5-dimethylpyrazol-1-yl)-1-naphthalen-2-ylethanone
CID 90677359
1-naphthalen-2-yl-2-propan-2-yloxyethanone
CID 79567011
N-(3,5-dimethyl-1H-pyrazol-4-yl)naphthalene-2-carboxamide
CID 43399081
3-ethylimino-1-naphthalen-2-ylpropan-1-one
CID 91601607

Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydropyridin-6-yl]-1-naphthalen-2-ylethanone?
The IUPAC name of 2-[5-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydropyridin-6-yl]-1-naphthalen-2-ylethanone (CID 90918406) is 2-[5-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydropyridin-6-yl]-1-naphthalen-2-ylethanone.
What is the SMILES notation for 2-[5-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydropyridin-6-yl]-1-naphthalen-2-ylethanone?
The canonical SMILES for 2-[5-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydropyridin-6-yl]-1-naphthalen-2-ylethanone is Cc1cc(C2=C(CC(=O)c3ccc4ccccc4c3)N=CCC2)n[nH]1.
What is the InChIKey of 2-[5-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydropyridin-6-yl]-1-naphthalen-2-ylethanone?
The InChIKey is HPUCNEBYGDSMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O/c1-14-11-20(24-23-14)18-7-4-10-22-19(18)13-21(25)17-9-8-15-5-2-3-6-16(15)12-17/h2-3,5-6,8-12H,4,7,13H2,1H3,(H,23,24).
What are the key properties of 2-[5-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydropyridin-6-yl]-1-naphthalen-2-ylethanone?
2-[5-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydropyridin-6-yl]-1-naphthalen-2-ylethanone has a molecular weight of 329.40 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydropyridin-6-yl]-1-naphthalen-2-ylethanone is sourced from PubChem (CID 90918406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).