2-methyl-5-[2-oxo-2-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-1-yl]ethyl]-4H-pyrazol-3-one

C20H25N3O2 — CID 84595125

IUPAC2-methyl-5-[2-oxo-2-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-1-yl]ethyl]-4H-pyrazol-3-one
SMILESCN1N=C(CC(=O)N2CCCC2C2CCCc3ccccc32)CC1=O
InChIInChI=1S/C20H25N3O2/c1-22-19(24)12-15(21-22)13-20(25)23-11-5-10-18(23)17-9-4-7-14-6-2-3-8-16(14)17/h2-3,6,8,17-18H,4-5,7,9-13H2,1H3
InChIKeyAMSLPZBFSLPLDB-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.71
Rot. Bonds3

About 2-methyl-5-[2-oxo-2-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-1-yl]ethyl]-4H-pyrazol-3-one

2-methyl-5-[2-oxo-2-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-1-yl]ethyl]-4H-pyrazol-3-one (PubChem CID 84595125) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-methyl-5-[2-oxo-2-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-1-yl]ethyl]-4H-pyrazol-3-one.

Molecular Properties

Compound Name2-methyl-5-[2-oxo-2-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-1-yl]ethyl]-4H-pyrazol-3-one
PubChem CID84595125
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name2-methyl-5-[2-oxo-2-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-1-yl]ethyl]-4H-pyrazol-3-one
SMILESCN1N=C(CC(=O)N2CCCC2C2CCCc3ccccc32)CC1=O
InChIInChI=1S/C20H25N3O2/c1-22-19(24)12-15(21-22)13-20(25)23-11-5-10-18(23)17-9-4-7-14-6-2-3-8-16(14)17/h2-3,6,8,17-18H,4-5,7,9-13H2,1H3
InChIKeyAMSLPZBFSLPLDB-UHFFFAOYSA-N
XLogP2.71
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methyl-5-[2-oxo-2-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-1-yl]ethyl]-4H-pyrazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 86813621
N-methyl-2-oxo-2-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-1-yl]ethanesulfonamide
CID 71923230
2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl-(4-aminophenyl)methanone
CID 67224597
[(4aR,10bS)-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]-(4-aminophenyl)methanone
CID 67224595
imidazo[1,2-a]pyrazin-8-yl-[(2R)-2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidin-1-yl]methanone
CID 97220862
[(4aS)-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]-(2-methyl-1H-inden-5-yl)methanone
CID 58294419
(2S)-1-(4-methylsulfonylbutyl)-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine
CID 97225607
[(4aR,10bS)-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]-(2H-benzotriazol-5-yl)methanone
CID 67969110
[(4aS,10bS)-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]-(3H-benzimidazol-5-yl)methanone
CID 52933602
[(4aS)-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]-(3-hydroxy-4-methylphenyl)methanone
CID 58294448
2-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-1-yl]ethanesulfonamide
CID 84585850
[(4aS,10bR)-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]-(1H-imidazo[4,5-b]pyridin-5-yl)methanone
CID 86654097

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[2-oxo-2-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-1-yl]ethyl]-4H-pyrazol-3-one?
The IUPAC name of 2-methyl-5-[2-oxo-2-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-1-yl]ethyl]-4H-pyrazol-3-one (CID 84595125) is 2-methyl-5-[2-oxo-2-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-1-yl]ethyl]-4H-pyrazol-3-one.
What is the SMILES notation for 2-methyl-5-[2-oxo-2-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-1-yl]ethyl]-4H-pyrazol-3-one?
The canonical SMILES for 2-methyl-5-[2-oxo-2-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-1-yl]ethyl]-4H-pyrazol-3-one is CN1N=C(CC(=O)N2CCCC2C2CCCc3ccccc32)CC1=O.
What is the InChIKey of 2-methyl-5-[2-oxo-2-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-1-yl]ethyl]-4H-pyrazol-3-one?
The InChIKey is AMSLPZBFSLPLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-22-19(24)12-15(21-22)13-20(25)23-11-5-10-18(23)17-9-4-7-14-6-2-3-8-16(14)17/h2-3,6,8,17-18H,4-5,7,9-13H2,1H3.
What are the key properties of 2-methyl-5-[2-oxo-2-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-1-yl]ethyl]-4H-pyrazol-3-one?
2-methyl-5-[2-oxo-2-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-1-yl]ethyl]-4H-pyrazol-3-one has a molecular weight of 339.44 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[2-oxo-2-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-1-yl]ethyl]-4H-pyrazol-3-one is sourced from PubChem (CID 84595125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).